HMDB0014876 RDKit 3D Pentamidine 49 50 0 0 0 0 0 0 0 0999 V2000 8.4973 0.6884 0.6107 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 1.1282 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7453 2.2957 -0.8584 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2491 0.4545 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 -0.6857 0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8187 -1.3097 0.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7726 -0.7881 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6126 -1.4625 -0.1247 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3736 -1.3223 -0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 -0.0860 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 -0.0412 1.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3528 -1.1751 1.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 -1.2185 1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 -0.0478 1.4501 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 0.1413 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3882 1.3107 1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6933 1.4430 0.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3008 0.4630 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6457 0.6411 -0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3174 1.6882 -0.1678 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2553 -0.3826 -1.1689 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6172 -0.7148 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3351 -0.8459 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0233 0.3502 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2448 0.9857 -0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5429 -0.1254 1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1623 2.2740 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5008 3.2526 -0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8116 -1.1358 1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6594 -2.1972 1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5286 -1.2070 -1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7327 -2.2354 -0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3006 0.0275 -0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 0.8062 -0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 0.9049 1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4546 -0.0773 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1088 -2.1644 1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4819 -1.0363 2.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6201 -1.3267 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2599 -2.1383 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 2.1067 1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1665 2.3880 1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9936 2.4990 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0785 -0.4410 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8803 -1.0825 -0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0985 -1.4977 -0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8246 -1.7831 0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2613 0.7863 -1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4241 1.8931 -1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 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 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 3 19 21 1 0 18 22 1 0 22 23 2 0 7 24 1 0 24 25 2 0 25 4 1 0 23 15 1 0 1 26 1 0 3 27 1 0 3 28 1 0 5 29 1 0 6 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 16 41 1 0 17 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 M END