@MOLECULE n-(2-aminoethyl)-5-(7h-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophenesulfonamide 35 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.7648 -2.5345 0.4582 C.ar 1 UNL1 -0.2483 2 C 2.7276 -1.6025 0.2649 C.ar 1 UNL1 -0.0449 3 C 0.3541 2.1835 -1.0353 C.ar 1 UNL1 -0.2573 4 C -1.0558 2.1986 -0.8352 C.ar 1 UNL1 -0.0305 5 C 5.0991 -2.1661 0.3789 C.ar 1 UNL1 0.0078 6 C 3.4062 1.9009 -0.4901 C.ar 1 UNL1 0.0977 7 C 3.0615 -0.2958 0.0006 C.ar 1 UNL1 -0.0796 8 C 2.3924 0.9458 -0.2640 C.ar 1 UNL1 -0.2308 9 C 0.9979 1.2093 -0.3037 C.ar 1 UNL1 -0.0370 10 C 4.4904 0.0575 -0.0897 C.ar 1 UNL1 0.2217 11 C -1.4960 1.2403 0.0438 C.ar 1 UNL1 -0.5748 12 C -4.0567 -1.5776 -0.1020 C.3 1 UNL1 -0.0698 13 C -3.5500 -2.6674 -1.0850 C.3 1 UNL1 -0.1171 14 N 5.4692 -0.8771 0.1029 N.ar 1 UNL1 -0.2446 15 N 4.6762 1.3729 -0.3837 N.ar 1 UNL1 -0.4674 16 N -3.6545 -0.2711 -0.6448 N.3 1 UNL1 -0.8699 17 N -4.0532 -3.9727 -0.6061 N.3 1 UNL1 -0.6561 18 O -3.2535 0.4442 1.7931 O.2 1 UNL1 -0.9147 19 O -3.9116 2.1518 0.0515 O.2 1 UNL1 -0.9212 20 S -0.1576 0.3264 0.6565 S.2 1 UNL1 0.3253 21 S -3.1564 0.9869 0.4574 S.O2 1 UNL1 2.3850 22 H 3.5124 -3.5720 0.6758 H 1 UNL1 0.1773 23 H 1.6893 -1.9331 0.3227 H 1 UNL1 0.1749 24 H 5.9075 -2.8893 0.5309 H 1 UNL1 0.1759 25 H 0.8498 2.8654 -1.7071 H 1 UNL1 0.1668 26 H -1.6954 2.9156 -1.3443 H 1 UNL1 0.1736 27 H 6.4462 -0.6006 0.0361 H 1 UNL1 0.3280 28 H 3.2816 2.9497 -0.7171 H 1 UNL1 0.1778 29 H -5.1601 -1.6666 0.0166 H 1 UNL1 0.1398 30 H -3.6235 -1.7507 0.9097 H 1 UNL1 0.1606 31 H -3.9576 -2.4797 -2.1007 H 1 UNL1 0.1392 32 H -2.4448 -2.6193 -1.1668 H 1 UNL1 0.1204 33 H -4.2694 0.0403 -1.3939 H 1 UNL1 0.2993 34 H -3.9352 -4.6983 -1.2912 H 1 UNL1 0.2468 35 H -3.6106 -4.2570 0.2513 H 1 UNL1 0.2461 @BOND 1 31 13 1 2 25 3 1 3 33 16 1 4 26 4 1 5 34 17 1 6 32 13 1 7 13 17 1 8 13 12 1 9 3 4 ar 10 3 9 ar 11 4 11 ar 12 28 6 1 13 16 12 1 14 16 21 1 15 17 35 1 16 6 15 ar 17 6 8 ar 18 15 10 ar 19 9 8 1 20 9 20 ar 21 8 7 ar 22 12 29 1 23 12 30 1 24 10 7 ar 25 10 14 ar 26 7 2 ar 27 27 14 1 28 11 21 1 29 11 20 ar 30 19 21 2 31 14 5 ar 32 2 23 1 33 2 1 ar 34 5 1 ar 35 5 24 1 36 21 18 2 37 1 22 1