HMDB0252567 RDKit 3D Gabapentin enacarbil 50 50 0 0 0 0 0 0 0 0999 V2000 3.1987 2.6986 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 1.3413 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 0.9657 0.5067 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 0.7815 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 0.9571 -1.5669 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 0.4076 0.1935 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8239 0.2228 -0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0685 -0.1700 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9266 -1.4544 0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6087 -2.6253 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5362 -2.5373 -1.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3794 -3.8665 0.5144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -0.2824 -1.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7843 1.0546 -1.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4116 1.7036 -0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9879 0.9116 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4733 0.8860 1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8279 0.3606 0.4158 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6052 -0.3737 -0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5025 -0.1828 -1.6738 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5830 -1.4026 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5880 -0.6720 0.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2534 -2.0878 -1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2719 3.2719 0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 2.4478 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9532 3.2605 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8672 1.4480 -1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 0.2747 1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0634 1.1856 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5532 -0.5221 -1.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8442 -1.6212 1.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -1.2857 1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8765 -3.8790 1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7197 -0.6553 -2.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9294 -1.0315 -0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0122 1.7238 -1.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5947 0.8459 -2.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0223 2.7473 -0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5000 1.7615 -0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3633 -0.1200 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3449 1.4548 1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0615 1.8795 0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 0.6059 2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -2.1989 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6067 -1.0609 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6190 0.4195 0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2668 -0.7451 1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5998 -2.9426 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2277 -2.4633 -0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3309 -1.4374 -2.0363 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 8 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 2 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 21 23 1 0 17 8 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 9 31 1 0 9 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 21 44 1 0 22 45 1 0 22 46 1 0 22 47 1 0 23 48 1 0 23 49 1 0 23 50 1 0 M END