@MOLECULE (1r,2s,10r,12s,13s,15r)-12-cyano-10-(hydroxymethyl)-8-methoxy-16-methyl-11,16-diazatetracyclo[11.2.1.0~2,11~.0~4,9~]hexadeca-4,6,8-triene-15-carboxylic acid 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.6431 0.6423 -1.7582 O.3 1 UNL1111111111 -0.5556 2 O -4.2898 2.1955 -0.2034 O.2 1 UNL1111111111 -0.5182 3 O 0.8747 -0.5073 -2.5039 O.3 1 UNL1111111111 -0.5361 4 O 4.0355 -1.0224 0.2850 O.3 1 UNL1111111111 -0.3314 5 N -2.3328 -0.1851 1.7749 N.3 1 UNL1111111111 -0.4225 6 N -0.0628 -0.6003 0.0753 N.3 1 UNL1111111111 -0.4734 7 N -0.4032 -4.0110 -0.3351 N.1 1 UNL1111111111 -0.2407 8 C -1.9485 0.8542 0.7809 C.3 1 UNL1111111111 0.0247 9 C -0.3972 0.7156 0.6912 C.3 1 UNL1111111111 0.0495 10 C -2.2538 -1.4218 0.9553 C.3 1 UNL1111111111 0.0340 11 C -2.6273 0.4493 -0.5671 C.3 1 UNL1111111111 -0.2121 12 C -2.8537 -1.0733 -0.4332 C.3 1 UNL1111111111 -0.2916 13 C -0.7066 -1.7017 0.8485 C.3 1 UNL1111111111 0.0429 14 C 0.2325 1.8302 -0.1591 C.3 1 UNL1111111111 -0.3116 15 C 1.3987 -0.8187 -0.1214 C.3 1 UNL1111111111 0.0082 16 C 2.2457 0.4125 0.0425 C.ar 1 UNL1111111111 -0.1609 17 C 1.7159 1.6984 -0.0320 C.ar 1 UNL1111111111 0.0897 18 C -3.6494 0.0336 2.3920 C.3 1 UNL1111111111 -0.2700 19 C -3.9038 1.2058 -0.7692 C.2 1 UNL1111111111 0.6298 20 C 1.5674 -1.3240 -1.5912 C.3 1 UNL1111111111 -0.0027 21 C -0.5240 -2.9802 0.1739 C.1 1 UNL1111111111 0.0863 22 C 3.6360 0.2764 0.2142 C.ar 1 UNL1111111111 0.2471 23 C 2.5450 2.8208 0.0391 C.ar 1 UNL1111111111 -0.2469 24 C 4.4767 1.3842 0.2924 C.ar 1 UNL1111111111 -0.3066 25 C 3.9170 2.6581 0.1948 C.ar 1 UNL1111111111 -0.0674 26 C 5.4233 -1.2718 0.4564 C.3 1 UNL1111111111 -0.1930 27 H -2.2332 1.8744 1.1147 H 1 UNL1111111111 0.1671 28 H 0.0043 0.7870 1.7406 H 1 UNL1111111111 0.1506 29 H -2.7621 -2.2778 1.4406 H 1 UNL1111111111 0.1476 30 H -1.9485 0.6655 -1.4283 H 1 UNL1111111111 0.1902 31 H -3.9195 -1.3469 -0.4895 H 1 UNL1111111111 0.1585 32 H -2.3547 -1.6278 -1.2462 H 1 UNL1111111111 0.1700 33 H -0.2950 -1.7660 1.8997 H 1 UNL1111111111 0.1688 34 H -0.1312 2.8221 0.1692 H 1 UNL1111111111 0.1618 35 H -0.0539 1.7351 -1.2305 H 1 UNL1111111111 0.1789 36 H 1.7813 -1.6146 0.5743 H 1 UNL1111111111 0.1479 37 H -3.6227 0.9819 2.9583 H 1 UNL1111111111 0.1565 38 H -3.8451 -0.7750 3.1161 H 1 UNL1111111111 0.1489 39 H -4.4899 0.0850 1.6834 H 1 UNL1111111111 0.1300 40 H 1.2026 -2.3598 -1.7038 H 1 UNL1111111111 0.1274 41 H 2.6217 -1.2592 -1.9160 H 1 UNL1111111111 0.1470 42 H 2.1179 3.8173 -0.0315 H 1 UNL1111111111 0.1608 43 H -5.4796 1.1297 -1.9603 H 1 UNL1111111111 0.3556 44 H 5.5473 1.2736 0.4196 H 1 UNL1111111111 0.1640 45 H 4.5650 3.5331 0.2435 H 1 UNL1111111111 0.1488 46 H -0.0272 -0.3341 -2.1490 H 1 UNL1111111111 0.3242 47 H 5.4573 -2.3702 0.4810 H 1 UNL1111111111 0.1548 48 H 5.7827 -0.8553 1.4019 H 1 UNL1111111111 0.1327 49 H 5.9956 -0.8891 -0.3944 H 1 UNL1111111111 0.1361 @BOND 1 1 19 1 2 1 43 1 3 2 19 2 4 3 20 1 5 3 46 1 6 4 22 1 7 4 26 1 8 5 8 1 9 5 10 1 10 5 18 1 11 6 9 1 12 6 13 1 13 6 15 1 14 7 21 3 15 8 9 1 16 8 11 1 17 8 27 1 18 9 14 1 19 9 28 1 20 10 12 1 21 10 13 1 22 10 29 1 23 11 12 1 24 11 19 1 25 11 30 1 26 12 31 1 27 12 32 1 28 13 21 1 29 13 33 1 30 14 17 1 31 14 34 1 32 14 35 1 33 15 16 1 34 15 20 1 35 15 36 1 36 16 17 ar 37 16 22 ar 38 17 23 ar 39 18 37 1 40 18 38 1 41 18 39 1 42 20 40 1 43 20 41 1 44 22 24 ar 45 23 25 ar 46 23 42 1 47 24 25 ar 48 24 44 1 49 25 45 1 50 26 47 1 51 26 48 1 52 26 49 1