@MOLECULE 3-(5-{[5-(carbamoylamino)-2-oxo-2h-indol-3-yl]methyl}-1h-pyrrol-3-yl)-n-[2-(1-piperidinyl)ethyl]benzamide 67 71 0 0 0 SMALL GASTEIGER @ATOM 1 C -6.6271 -0.0560 -0.0391 C.3 1 UNL1111 -0.1069 2 C -7.8149 0.7533 0.5056 C.3 1 UNL1111 -0.2728 3 C -8.0155 2.0228 -0.3279 C.3 1 UNL1111 -0.2629 4 C -6.7146 2.8324 -0.3225 C.3 1 UNL1111 -0.2752 5 C -5.5522 1.9817 -0.8669 C.3 1 UNL1111 -0.1065 6 N -5.3863 0.7660 -0.0305 N.3 1 UNL1111 -0.4326 7 C -4.2424 -0.0556 -0.4972 C.3 1 UNL1111 -0.1621 8 C -3.6282 -0.6767 0.7828 C.3 1 UNL1111 -0.0639 9 N -2.3911 -1.3880 0.4733 N.am 1 UNL1111 -0.5986 10 C -2.3903 -2.7686 0.4655 C.2 1 UNL1111 0.5867 11 O -3.4238 -3.3703 0.7074 O.2 1 UNL1111 -0.5514 12 C -1.0933 -3.4766 0.2886 C.ar 1 UNL1111 -0.1235 13 C 0.0875 -2.8194 -0.0384 C.ar 1 UNL1111 -0.1308 14 C -1.0775 -4.8523 0.5383 C.ar 1 UNL1111 -0.0992 15 C 0.1239 -5.5570 0.4922 C.ar 1 UNL1111 -0.1610 16 C 1.3142 -4.8966 0.1947 C.ar 1 UNL1111 -0.1343 17 C 1.2979 -3.5249 -0.0810 C.ar 1 UNL1111 0.0206 18 C 2.5036 -2.7872 -0.3790 C.ar 1 UNL1111 -0.1021 19 C 2.5657 -1.6312 -1.2147 C.ar 1 UNL1111 -0.2135 20 C 3.7839 -2.9994 0.1449 C.ar 1 UNL1111 -0.0809 21 N 4.6232 -2.0144 -0.3526 N.ar 1 UNL1111 -0.3060 22 C 3.8740 -1.1632 -1.1660 C.ar 1 UNL1111 0.0384 23 C 4.4606 0.0673 -1.7524 C.3 1 UNL1111 -0.2609 24 C 4.5332 1.0879 -0.6946 C.2 1 UNL1111 -0.1088 25 C 3.6680 2.0302 -0.2681 C.ar 1 UNL1111 -0.0594 26 C 2.2987 2.3300 -0.5467 C.ar 1 UNL1111 -0.2075 27 C 5.7420 1.1543 0.2538 C.2 1 UNL1111 0.5364 28 O 6.6314 0.3669 0.3452 O.2 1 UNL1111 -0.3622 29 N 5.5604 2.3342 1.1038 N.am 1 UNL1111 -0.4528 30 C 4.3839 2.8173 0.8204 C.ar 1 UNL1111 0.2352 31 C 3.7157 3.9756 1.3773 C.ar 1 UNL1111 -0.1508 32 C 2.4292 4.2098 1.0550 C.ar 1 UNL1111 -0.1369 33 C 1.6811 3.3187 0.1530 C.ar 1 UNL1111 0.2000 34 N 0.2956 3.5696 0.0990 N.am 1 UNL1111 -0.5852 35 C -0.6395 2.5961 -0.2953 C.2 1 UNL1111 0.7307 36 O -0.3418 1.4891 -0.6923 O.2 1 UNL1111 -0.5277 37 N -1.9695 3.0161 -0.2230 N.am 1 UNL1111 -0.6945 38 H -6.4468 -0.9404 0.6167 H 1 UNL1111 0.1468 39 H -6.8706 -0.4462 -1.0505 H 1 UNL1111 0.1164 40 H -7.6270 1.0226 1.5629 H 1 UNL1111 0.1500 41 H -8.7269 0.1304 0.4961 H 1 UNL1111 0.1349 42 H -8.3055 1.7655 -1.3626 H 1 UNL1111 0.1356 43 H -8.8447 2.6266 0.0812 H 1 UNL1111 0.1322 44 H -6.8213 3.7497 -0.9255 H 1 UNL1111 0.1289 45 H -6.4835 3.1577 0.7099 H 1 UNL1111 0.1477 46 H -5.7290 1.7432 -1.9371 H 1 UNL1111 0.1173 47 H -4.6166 2.5779 -0.8181 H 1 UNL1111 0.1153 48 H -4.5289 -0.8536 -1.2141 H 1 UNL1111 0.1412 49 H -3.4851 0.5602 -1.0202 H 1 UNL1111 0.1276 50 H -3.4158 0.1246 1.5254 H 1 UNL1111 0.1424 51 H -4.3623 -1.3629 1.2706 H 1 UNL1111 0.1771 52 H -1.6089 -0.8259 0.1753 H 1 UNL1111 0.3225 53 H 0.0989 -1.7488 -0.2475 H 1 UNL1111 0.1623 54 H -2.0135 -5.3668 0.7726 H 1 UNL1111 0.1739 55 H 0.1340 -6.6245 0.7046 H 1 UNL1111 0.1513 56 H 2.2550 -5.4442 0.1682 H 1 UNL1111 0.1513 57 H 1.7529 -1.2166 -1.7714 H 1 UNL1111 0.1684 58 H 4.1318 -3.7595 0.8141 H 1 UNL1111 0.1670 59 H 5.5656 -1.8386 -0.0745 H 1 UNL1111 0.3191 60 H 5.4697 -0.1317 -2.1877 H 1 UNL1111 0.1756 61 H 3.8450 0.4194 -2.6154 H 1 UNL1111 0.1827 62 H 1.7761 1.6972 -1.2718 H 1 UNL1111 0.2114 63 H 4.2943 4.6115 2.0504 H 1 UNL1111 0.1882 64 H 1.8989 5.0717 1.4627 H 1 UNL1111 0.1603 65 H -0.0231 4.4867 0.3827 H 1 UNL1111 0.3139 66 H -2.2548 3.7615 0.3764 H 1 UNL1111 0.2980 67 H -2.6791 2.3089 -0.3651 H 1 UNL1111 0.3236 @BOND 1 1 6 1 2 1 2 1 3 1 38 1 4 1 39 1 5 2 3 1 6 2 40 1 7 2 41 1 8 3 4 1 9 3 42 1 10 3 43 1 11 4 5 1 12 4 44 1 13 4 45 1 14 5 6 1 15 5 46 1 16 5 47 1 17 6 7 1 18 7 8 1 19 7 48 1 20 7 49 1 21 8 9 1 22 8 50 1 23 8 51 1 24 9 10 am 25 9 52 1 26 10 12 1 27 10 11 2 28 12 13 ar 29 12 14 ar 30 13 17 ar 31 13 53 1 32 14 15 ar 33 14 54 1 34 15 16 ar 35 15 55 1 36 16 17 ar 37 16 56 1 38 17 18 1 39 18 19 ar 40 18 20 ar 41 19 22 ar 42 19 57 1 43 20 21 ar 44 20 58 1 45 21 22 ar 46 21 59 1 47 22 23 1 48 23 24 1 49 23 60 1 50 23 61 1 51 24 25 2 52 24 27 1 53 25 30 ar 54 25 26 ar 55 26 33 ar 56 26 62 1 57 27 29 1 58 27 28 2 59 29 30 2 60 30 31 ar 61 31 32 ar 62 31 63 1 63 32 33 ar 64 32 64 1 65 33 34 1 66 34 35 am 67 34 65 1 68 35 36 2 69 35 37 am 70 37 66 1 71 37 67 1