@MOLECULE hydroxy[4-iodo-3-({1-[(1-methyl-2-piperidinyl)methyl]-1h-indol-3-yl}carbonyl)phenyl]oxido-lambda~5~-azanyl 29 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 6.1025 -2.0344 -0.0270 C.3 1 UNL1 0.6806 2 N 6.7654 -0.7386 -0.0171 N.ar 1 UNL1 -0.5956 3 C 8.0072 -0.0484 -0.0074 C.ar 1 UNL1 0.4249 4 C 7.5611 1.3368 0.0072 C.ar 1 UNL1 -0.2535 5 C 6.4540 1.9103 0.0132 C.ar 1 UNL1 0.0107 6 C 5.1778 1.3010 0.0034 C.ar 1 UNL1 0.0291 7 C 5.5112 -0.0408 -0.0118 C.ar 1 UNL1 -0.0423 8 C 4.6533 -1.1825 -0.0219 C.ar 1 UNL1 -0.1559 9 N 3.3687 -1.0403 -0.0209 N.ar 1 UNL1 -0.2140 10 C 0.0615 -1.8972 -0.0638 C.2 1 UNL1 0.4007 11 C 0.3767 -0.4708 -0.0206 C.ar 1 UNL1 -0.3360 12 C -0.7822 0.3172 -0.0093 C.ar 1 UNL1 0.1739 13 O -0.5432 1.6555 0.0012 O.2 1 UNL1 -0.0736 14 C -1.9982 -0.4738 -0.0073 C.ar 1 UNL1 -0.0853 15 C -1.4960 -1.8489 -0.0084 C.ar 1 UNL1 -0.1940 16 C -2.3395 -2.9468 0.0135 C.ar 1 UNL1 0.0587 17 C -3.6554 -2.5128 0.0240 C.ar 1 UNL1 -0.0277 18 C -4.0690 -1.3292 0.0208 C.ar 1 UNL1 -0.0438 19 C -3.3541 -0.1458 0.0046 C.ar 1 UNL1 -0.0095 20 I -4.1778 1.7686 0.0004 I 1 UNL1 0.1429 21 N -1.9019 -4.3401 0.0259 N.pl3 1 UNL1 0.6348 22 O -2.0506 -4.9749 -0.9991 O.2 1 UNL1 -0.3599 23 O -1.4399 -4.7683 1.0637 O.2 1 UNL1 -0.3496 24 C 1.4767 0.4342 -0.0110 C.ar 1 UNL1 0.0160 25 C 0.8430 1.7333 0.0028 C.ar 1 UNL1 0.1180 26 C 1.7347 2.7630 0.0140 C.ar 1 UNL1 -0.0652 27 C 2.9800 2.5999 0.0139 C.ar 1 UNL1 0.0204 28 C 3.7703 1.4774 0.0032 C.ar 1 UNL1 -0.0183 29 C 2.8990 0.2812 -0.0101 C.ar 1 UNL1 0.1139 @BOND 1 22 21 2 2 10 11 1 3 10 15 2 4 1 8 1 5 1 2 1 6 8 9 ar 7 8 7 ar 8 9 29 ar 9 11 24 ar 10 11 12 ar 11 2 7 ar 12 2 3 ar 13 7 6 ar 14 24 29 ar 15 24 25 ar 16 29 28 ar 17 12 14 2 18 12 13 ar 19 15 14 ar 20 15 16 ar 21 3 4 ar 22 14 19 ar 23 20 19 1 24 13 25 ar 25 25 26 ar 26 28 6 ar 27 28 27 ar 28 6 5 ar 29 19 18 ar 30 4 5 ar 31 16 17 ar 32 16 21 1 33 27 26 ar 34 18 17 ar 35 21 23 2