HMDB0251685 RDKit 3D Ecgonine Ethyl Ester 34 35 0 0 0 0 0 0 0 0999 V2000 4.4447 -0.3393 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8988 -0.4962 -0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6416 0.1802 -0.9599 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 -0.2001 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7483 -1.1304 0.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2954 0.5071 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 0.3114 -1.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2559 -1.0806 -1.8701 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 0.8122 -1.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4667 0.2643 -0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6745 1.3426 0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5003 1.1743 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0220 0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7281 -0.7552 0.0055 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5554 -1.5615 0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7311 -1.3496 0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6722 0.0839 1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3273 0.3231 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7895 -1.5628 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5621 0.0040 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5029 1.5728 -0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4601 0.7657 -2.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5544 -1.5277 -1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6871 1.8957 -1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9876 0.3824 -2.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4126 -0.1178 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6295 1.1324 0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6622 2.3336 -0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7953 1.0138 2.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8385 2.0814 1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2751 -0.6163 1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5731 -1.5808 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4934 -1.2416 1.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1605 -2.5988 0.8258 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 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 6 1 0 14 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 15 32 1 0 15 33 1 0 15 34 1 0 M END