HMDB0014464 RDKit 3D Piperacillin 63 66 0 0 0 0 0 0 0 0999 V2000 -8.7273 -0.2381 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1192 1.0565 1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7550 1.1166 0.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6227 0.6035 1.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8021 -0.2513 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2627 0.6192 -0.6144 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8967 0.7080 -0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 1.5105 -1.8756 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8595 -0.0527 -0.3733 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4762 0.0621 -0.7593 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3587 0.6028 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 0.8843 1.4459 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7546 0.8091 0.2183 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5337 1.3266 1.2929 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4641 2.4408 0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2477 3.6722 0.8153 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5984 1.5987 0.9101 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 1.1022 0.6335 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6571 1.0020 1.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1541 1.3160 2.9942 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9633 0.5456 1.8798 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7859 -0.2169 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6781 0.0505 -1.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9114 -1.1408 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1968 -0.8304 0.5604 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8179 0.6096 1.6259 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0272 -1.2072 -1.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -1.2859 -2.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -2.4986 -2.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -3.6677 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1785 -3.5861 -1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2623 -2.3829 -0.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2327 1.4436 -1.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9508 1.9319 -2.4234 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5093 1.6989 -0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3678 2.4082 -1.2274 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5325 -1.0467 1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8256 -0.1712 0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3018 -0.4824 -0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0902 1.0514 2.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7150 1.8939 0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0448 -0.0607 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0392 1.4478 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0677 -0.8589 0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5569 -0.9324 -0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1284 -0.7221 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4345 0.8306 -1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1961 0.5701 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9756 1.5455 2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4299 1.7839 -0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7091 1.0902 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7798 -0.8778 -2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5146 0.7289 -1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7376 0.6018 -1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7271 -2.0906 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8526 -0.6565 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8789 -1.4223 1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0251 0.4561 2.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0424 -0.3799 -2.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8516 -2.5885 -3.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 -4.6290 -2.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0633 -4.5090 -0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8717 -2.3329 0.2608 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 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 18 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 25 26 1 0 10 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 6 33 1 0 33 34 2 0 33 35 1 0 35 36 2 0 35 3 1 0 26 14 1 0 32 27 1 0 26 17 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 2 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 9 46 1 0 10 47 1 6 13 48 1 0 14 49 1 1 18 50 1 6 21 51 1 0 23 52 1 0 23 53 1 0 23 54 1 0 24 55 1 0 24 56 1 0 24 57 1 0 26 58 1 1 28 59 1 0 29 60 1 0 30 61 1 0 31 62 1 0 32 63 1 0 M END