@MOLECULE 7-[(4aS,6R,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid 49 53 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -0.2573 -2.3883 0.6405 Cl 1 UNL111111111 -0.0175 2 F -1.7604 2.1569 -0.7900 F 1 UNL111111111 -0.1479 3 O 3.1488 2.7553 -0.6486 O.2 1 UNL111111111 -0.4180 4 O 5.3657 2.5473 0.8605 O.3 1 UNL111111111 -0.4947 5 O 6.3574 0.5720 0.5787 O.2 1 UNL111111111 -0.5572 6 N -2.2888 -0.6482 -0.1779 N.3 1 UNL111111111 -0.4271 7 N -5.5839 -0.2247 1.5104 N.3 1 UNL111111111 -0.5550 8 N 2.5365 -1.1650 0.2114 N.4 1 UNL111111111 -0.3046 9 C -4.6175 -0.3235 -0.8466 C.3 1 UNL111111111 -0.1362 10 C -4.5217 -0.7438 0.6488 C.3 1 UNL111111111 0.0471 11 C -3.1695 -0.5101 -1.3682 C.3 1 UNL111111111 -0.1142 12 C -3.0683 -0.3438 1.0462 C.3 1 UNL111111111 -0.1598 13 C -5.1002 1.1155 -1.0533 C.3 1 UNL111111111 -0.2808 14 C 2.4951 -2.6083 0.0377 C.3 1 UNL111111111 0.0043 15 C -6.3180 1.4019 -0.1729 C.3 1 UNL111111111 -0.2717 16 C 1.9456 -3.1886 -1.2541 C.3 1 UNL111111111 -0.3003 17 C 3.4254 -3.2334 -0.9941 C.3 1 UNL111111111 -0.3324 18 C -5.9262 1.1970 1.2988 C.3 1 UNL111111111 -0.0993 19 C -1.0166 -0.0113 -0.2268 C.3 1 UNL111111111 0.1429 20 C 1.4082 -0.3502 -0.0081 C.3 1 UNL111111111 0.1713 21 C 0.0845 -0.8208 0.0783 C.3 1 UNL111111111 -0.0872 22 C 1.6104 1.0183 -0.2787 C.3 1 UNL111111111 -0.1917 23 C -0.7538 1.3371 -0.5375 C.3 1 UNL111111111 0.0731 24 C 3.7749 -0.6027 0.3816 C.3 1 UNL111111111 0.1903 25 C 0.5307 1.8577 -0.5503 C.3 1 UNL111111111 -0.0969 26 C 4.0064 0.7387 0.2436 C.3 1 UNL111111111 -0.4184 27 C 2.9694 1.6286 -0.2549 C.2 1 UNL111111111 0.5097 28 C 5.3423 1.2325 0.5485 C.2 1 UNL111111111 0.6815 29 H -5.3147 -1.0140 -1.3693 H 1 UNL111111111 0.1484 30 H -4.6083 -1.8647 0.7044 H 1 UNL111111111 0.1522 31 H -3.0715 -1.4695 -1.9260 H 1 UNL111111111 0.1507 32 H -2.8708 0.2904 -2.0655 H 1 UNL111111111 0.1393 33 H -3.0145 0.7149 1.3597 H 1 UNL111111111 0.1325 34 H -2.6753 -0.9683 1.8722 H 1 UNL111111111 0.1516 35 H -5.3463 1.2806 -2.1187 H 1 UNL111111111 0.1386 36 H -4.2992 1.8378 -0.8133 H 1 UNL111111111 0.1467 37 H 2.3263 -3.1285 0.9948 H 1 UNL111111111 0.1838 38 H -6.6848 2.4304 -0.3335 H 1 UNL111111111 0.1365 39 H -7.1535 0.7239 -0.4351 H 1 UNL111111111 0.1548 40 H -5.3768 -0.4080 2.4915 H 1 UNL111111111 0.2608 41 H 1.5493 -2.5255 -2.0229 H 1 UNL111111111 0.1767 42 H 1.3506 -4.1000 -1.2192 H 1 UNL111111111 0.1727 43 H 3.9150 -4.1768 -0.7628 H 1 UNL111111111 0.1689 44 H 4.0939 -2.6095 -1.5860 H 1 UNL111111111 0.1766 45 H -5.1012 1.8880 1.5747 H 1 UNL111111111 0.1124 46 H -6.7893 1.4299 1.9618 H 1 UNL111111111 0.1378 47 H 4.5952 -1.2976 0.6476 H 1 UNL111111111 0.1941 48 H 0.7176 2.9208 -0.7646 H 1 UNL111111111 0.2114 49 H 6.2844 2.8769 1.0403 H 1 UNL111111111 0.3440 @BOND 1 35 13 1 2 32 11 1 3 41 16 1 4 31 11 1 5 44 17 1 6 29 9 1 7 11 9 1 8 11 6 1 9 16 42 1 10 16 17 1 11 16 14 1 12 13 9 1 13 13 36 1 14 13 15 1 15 17 43 1 16 17 14 1 17 9 10 1 18 2 23 1 19 48 25 1 20 3 27 2 21 25 23 1 22 25 22 1 23 23 19 1 24 39 15 1 25 38 15 1 26 22 27 1 27 22 20 1 28 27 26 1 29 19 6 1 30 19 21 1 31 6 12 1 32 15 18 1 33 20 21 1 34 20 8 1 35 14 8 1 36 14 37 1 37 21 1 1 38 8 24 1 39 26 24 1 40 26 28 1 41 24 47 1 42 28 5 2 43 28 4 1 44 10 30 1 45 10 12 1 46 10 7 1 47 4 49 1 48 12 33 1 49 12 34 1 50 18 7 1 51 18 45 1 52 18 46 1 53 7 40 1