HMDB0114690 RDKit 3D PE-NMe2(11M5/11M5) 147148 0 0 0 0 0 0 0 0999 V2000 -5.3074 -0.2559 1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8918 -1.5842 0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3208 -1.5241 -0.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9198 -2.8338 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9931 -3.9936 -1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7983 -3.8799 -1.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7288 -4.3913 -3.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4524 -4.0759 -3.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -4.4094 -5.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8251 -3.4106 -2.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4488 -2.9084 -2.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4385 -4.0390 -2.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6671 -4.6309 -1.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 -5.7205 -0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1076 -6.3231 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 -5.2300 1.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6075 -4.6308 1.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 -3.4904 2.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5364 -3.5214 3.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1611 -3.7431 4.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 -2.7367 3.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8523 -3.1529 3.4387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -1.3742 4.0736 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5652 -0.5103 3.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 0.9405 3.6914 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3645 1.6768 2.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 3.0624 3.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2431 3.9270 2.1284 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3046 4.5407 3.0081 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0526 2.8526 1.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5443 5.1016 1.1321 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3343 6.3079 1.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6992 7.2311 0.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4346 8.5419 1.2710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 8.3871 2.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8959 9.3691 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0742 1.3782 3.0821 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8291 2.1323 3.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4647 2.3815 4.9788 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0765 2.6660 3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 2.9561 1.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4512 1.9811 0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3331 1.1415 0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1112 1.8487 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3486 2.7537 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 2.0467 -2.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0307 0.9475 -3.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 0.2236 -4.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7227 -0.5598 -4.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9887 0.0862 -3.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -0.0483 -2.6895 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7691 0.6937 -2.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8518 0.8382 -1.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9263 -0.2028 -1.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4115 -1.6024 -1.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7799 -1.9692 -0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7164 -1.8690 0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8036 1.3594 -3.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 0.9548 -4.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2618 1.4333 -5.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6618 -3.3219 -1.6748 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7355 0.2053 0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6052 -0.3515 1.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0846 0.4660 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1808 -2.3792 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8046 -1.7504 1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1384 -0.7633 -0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5278 -1.1485 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7888 -3.0398 -0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3467 -2.7365 -2.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6397 -4.1184 -0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5397 -4.9370 -1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5196 -4.9143 -3.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 -5.3731 -5.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6874 -4.4073 -5.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -3.6146 -5.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1968 -2.1350 -1.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1608 -2.5076 -3.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5604 -3.5571 -2.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4759 -4.8184 -3.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6862 -5.1147 -1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 -3.8424 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3347 -5.3773 -0.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0765 -6.5482 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9537 -7.0171 0.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8248 -6.8706 0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -4.5480 1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1062 -5.8388 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3472 -5.4322 2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9958 -4.4093 0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8799 -3.1260 2.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1889 -2.5837 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 -4.3181 4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -2.5776 4.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1581 -4.7581 4.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2128 -3.5022 5.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5168 -0.7107 4.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7901 -0.7110 2.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3969 1.3031 4.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1856 1.4457 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 1.3978 3.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4767 2.6948 0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3468 6.7580 1.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7093 6.2726 2.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 6.7905 0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3806 7.3491 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 7.3494 2.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8109 8.6673 3.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5063 9.0139 2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2284 9.3157 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2287 9.0804 -0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 10.4555 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2374 3.6756 3.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 2.0786 3.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 3.6369 1.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5573 3.7439 1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 1.2414 1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9409 2.4619 -0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0757 0.3504 1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 0.5426 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2732 2.4960 0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 1.1016 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 3.5695 -0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 3.2399 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9713 1.8005 -2.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9013 2.8398 -3.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0955 0.1631 -2.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 1.3436 -3.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3891 -0.3943 -4.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6348 1.0024 -5.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8806 -1.0734 -5.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5576 -1.4498 -3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3226 1.8226 -1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4384 0.8461 -0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7435 0.0118 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3428 -0.0089 -2.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2854 -2.2886 -2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 -1.7979 -2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4337 -3.0195 -0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8776 -1.3701 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1472 -2.8565 0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1450 -1.5358 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4740 -1.1012 0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5598 2.0512 -4.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8738 2.4510 -5.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5504 0.7347 -6.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2003 1.3658 -6.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 25 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 52 58 2 0 58 59 1 0 59 60 1 0 10 61 1 0 61 6 1 0 59 50 2 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 7 73 1 0 9 74 1 0 9 75 1 0 9 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 24 97 1 0 24 98 1 0 25 99 1 1 26100 1 0 26101 1 0 30102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 35107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 36112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 57143 1 0 58144 1 0 60145 1 0 60146 1 0 60147 1 0 M END