HMDB0114739 RDKit 3D PE-NMe2(9M5/9M5) 135136 0 0 0 0 0 0 0 0999 V2000 -5.3697 0.7257 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9338 -0.7365 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7478 -1.5138 -0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5577 -1.1554 -2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4643 -1.7246 -2.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3023 -2.2886 -2.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 -2.3744 -2.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2205 -2.9511 -1.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2144 -3.2664 -1.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1162 -3.1109 -0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5389 -3.6833 0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4511 -4.6760 1.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -3.8330 1.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1529 -4.3150 3.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0513 -3.9260 4.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 -2.4464 4.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5815 -2.1652 5.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5153 -0.8154 5.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7592 0.3590 4.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 0.4457 4.2932 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8446 1.3595 4.6642 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9259 2.4872 3.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 2.1104 2.4223 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2752 0.7873 2.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 1.0949 3.5354 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7939 0.9089 2.9359 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0911 2.2896 2.3889 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7849 -0.2832 1.7634 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6298 0.4730 4.3013 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4745 -0.5814 4.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0646 -1.4935 5.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6989 -1.9955 4.9584 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9274 -3.0022 3.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1644 -2.6780 6.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5698 2.9414 1.8807 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3049 3.9770 1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8596 4.4298 0.9198 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4213 4.5655 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9664 5.1405 -1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3187 4.2989 -2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0949 5.0944 -3.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 4.2699 -4.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 2.8123 -4.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5278 2.0987 -5.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8587 0.6616 -5.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7624 0.5694 -4.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5612 0.6157 -3.5997 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6867 0.5233 -2.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4102 0.5462 -1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7506 1.0017 -1.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9826 2.4501 -2.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4663 2.6204 -2.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6245 3.6018 -3.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0147 0.4276 -2.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 0.4869 -3.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 0.6585 -3.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1108 -2.7204 -1.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3989 1.2332 -0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6396 1.2581 1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3437 0.8168 0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8587 -0.7472 0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1811 -1.1446 1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7943 -1.4479 -0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4495 -2.5934 -0.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4991 -1.4621 -2.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 -0.0425 -2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0442 -0.9471 -3.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 -2.5815 -3.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 -2.0154 -3.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -4.3217 -1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5722 -3.2093 -2.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8209 -2.6117 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5127 -4.0922 0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5303 -2.8009 1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 -5.1571 2.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 -5.4204 0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5071 -2.7915 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5107 -4.1163 1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2246 -5.3827 3.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0847 -3.7983 3.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4863 -4.2969 5.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 -4.4520 4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9402 -1.8739 3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6941 -2.0153 5.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7692 -2.2836 4.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3526 -2.9345 5.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -0.7115 6.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -0.8312 6.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4749 3.3560 4.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1133 2.6969 3.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 2.1598 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8105 0.7013 1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4444 -0.0156 2.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 -0.1922 1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2242 -1.0970 3.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5553 -0.5077 4.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8216 -0.7620 6.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7403 -2.2286 5.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 -3.9965 4.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0146 -3.1235 3.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4743 -2.7447 2.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9572 -3.3047 6.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2701 -3.3091 5.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8268 -1.9284 6.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 5.2373 0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0866 3.6775 -0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2079 6.1582 -1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2293 5.0574 -1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9034 3.3417 -2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4626 4.1624 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4348 5.9152 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1144 5.6267 -3.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2105 4.4193 -5.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3923 4.6401 -5.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 2.3853 -4.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9801 2.5963 -3.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 2.0920 -6.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 2.6179 -6.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0022 0.5897 -5.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3055 -0.0579 -6.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0716 1.5976 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3479 -0.0971 -0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 0.5282 -1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 0.5788 -2.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4255 3.0109 -2.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 2.9692 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9852 3.1018 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 1.6957 -2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9676 4.4634 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1691 2.9761 -4.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6749 3.8207 -3.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5398 0.3621 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 1.6929 -3.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6057 0.9718 -2.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7369 -0.0600 -3.8685 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 23 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 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 48 54 2 0 54 55 1 0 55 56 1 0 10 57 1 0 57 6 1 0 55 46 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 7 69 1 0 9 70 1 0 9 71 1 0 9 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 22 89 1 0 22 90 1 0 23 91 1 6 24 92 1 0 24 93 1 0 28 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 33 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 34104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 56133 1 0 56134 1 0 56135 1 0 M END