HMDB0014559 RDKit 3D Ampicillin 43 45 0 0 0 0 0 0 0 0999 V2000 -4.8968 0.7994 -0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7431 -0.1986 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 -1.5648 -0.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3818 0.4838 -1.3678 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7967 1.5213 0.0338 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3410 1.4647 0.3154 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4094 0.4266 -0.3308 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6701 0.7257 -0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1138 1.9061 -0.8137 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -0.2805 -1.5792 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8827 -1.5672 -1.5646 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8027 -0.3706 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9733 0.1877 -1.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1768 0.1222 -0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2812 -0.5040 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1305 -1.0552 1.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9151 -0.9943 0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8595 1.1072 1.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 1.2741 2.8207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0284 0.5838 1.1137 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 -0.2239 0.9799 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1669 0.1552 2.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2678 -0.4034 2.1484 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 1.1672 2.9155 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8704 1.1483 -1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8619 0.3348 -0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6763 1.6909 0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6518 -1.7962 -1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2411 -1.6633 -1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -2.3413 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2935 2.4942 0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 2.4557 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0745 -0.5600 -0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7104 -0.0115 -2.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6528 -1.8241 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5395 -2.2727 -1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9206 0.6907 -2.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0907 0.5627 -1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2343 -0.5461 1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2034 -1.5483 2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 -1.4403 0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9742 -1.3206 1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 1.1846 3.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 6 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 21 2 1 0 20 5 1 0 17 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 5 31 1 1 6 32 1 1 7 33 1 0 10 34 1 6 11 35 1 0 11 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 21 42 1 1 24 43 1 0 M END