@MOLECULE 1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]-1h-benzimidazol-5-yl pivalate 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.9648 0.4240 0.0863 O.2 1 UNL1111 -0.3662 2 N 6.7576 0.5444 0.1713 N.pl3 1 UNL1111 0.6313 3 O 6.1953 1.6245 0.3182 O.2 1 UNL1111 -0.4498 4 C 5.9233 -0.6382 0.0482 C.ar 1 UNL1111 -0.0993 5 C 6.4726 -1.8255 -0.4462 C.ar 1 UNL1111 -0.0598 6 C 5.6448 -2.9319 -0.6155 C.ar 1 UNL1111 -0.1767 7 C 4.2848 -2.8474 -0.3153 C.ar 1 UNL1111 -0.0294 8 C 4.5739 -0.5507 0.3982 C.ar 1 UNL1111 -0.0617 9 C 3.7555 -1.6541 0.1784 C.ar 1 UNL1111 -0.1397 10 C 2.2898 -1.5847 0.4663 C.2 1 UNL1111 0.5800 11 O 1.6850 -2.4260 1.0760 O.2 1 UNL1111 -0.4074 12 N 1.6980 -0.4304 -0.0583 N.am 1 UNL1111 -0.5846 13 C 0.3436 -0.1416 0.0856 C.ar 1 UNL1111 0.4468 14 N -0.7063 -0.9494 -0.1021 N.ar 1 UNL1111 -0.3916 15 C -1.8448 -0.1718 0.1389 C.ar 1 UNL1111 0.1082 16 C -3.1951 -0.5238 0.0909 C.ar 1 UNL1111 -0.1807 17 C -4.0958 0.4865 0.3840 C.ar 1 UNL1111 0.2149 18 O -5.4463 0.2322 0.4917 O.3 1 UNL1111 -0.4138 19 C -6.0909 -0.3995 -0.5406 C.2 1 UNL1111 0.5804 20 O -5.5440 -0.6737 -1.5700 O.2 1 UNL1111 -0.4702 21 C -7.5312 -0.6767 -0.1313 C.3 1 UNL1111 0.0581 22 C -8.1236 0.5501 0.5645 C.3 1 UNL1111 -0.4544 23 C -8.3217 -1.0046 -1.4006 C.3 1 UNL1111 -0.4573 24 C -7.4995 -1.8804 0.8166 C.3 1 UNL1111 -0.4568 25 C -3.7287 1.8102 0.7042 C.ar 1 UNL1111 -0.1908 26 C -1.4512 1.1733 0.4707 C.ar 1 UNL1111 0.0217 27 C -2.3917 2.1660 0.7514 C.ar 1 UNL1111 -0.1528 28 N -0.0511 1.1696 0.4737 N.ar 1 UNL1111 -0.3820 29 C 0.8150 2.3344 0.5423 C.3 1 UNL1111 -0.0565 30 C 1.2542 2.8096 -0.8588 C.3 1 UNL1111 -0.3388 31 C 2.7551 3.0900 -0.9166 C.3 1 UNL1111 0.0330 32 O 3.3834 1.8153 -0.9506 O.3 1 UNL1111 -0.6229 33 H 7.5368 -1.8786 -0.6972 H 1 UNL1111 0.1826 34 H 6.0608 -3.8677 -0.9908 H 1 UNL1111 0.1693 35 H 3.6287 -3.7126 -0.4621 H 1 UNL1111 0.1810 36 H 4.1732 0.3709 0.8377 H 1 UNL1111 0.1891 37 H 2.2797 0.2895 -0.5107 H 1 UNL1111 0.3608 38 H -3.5038 -1.5332 -0.1730 H 1 UNL1111 0.1969 39 H -7.5784 0.7946 1.4867 H 1 UNL1111 0.1649 40 H -8.0891 1.4376 -0.0780 H 1 UNL1111 0.1516 41 H -9.1713 0.3820 0.8384 H 1 UNL1111 0.1511 42 H -8.3371 -0.1575 -2.0973 H 1 UNL1111 0.1560 43 H -9.3597 -1.2631 -1.1674 H 1 UNL1111 0.1507 44 H -7.8800 -1.8518 -1.9436 H 1 UNL1111 0.1648 45 H -6.8971 -1.6723 1.7114 H 1 UNL1111 0.1637 46 H -8.5085 -2.1412 1.1553 H 1 UNL1111 0.1535 47 H -7.0776 -2.7695 0.3317 H 1 UNL1111 0.1570 48 H -4.5107 2.5362 0.9161 H 1 UNL1111 0.1706 49 H -2.0863 3.1769 1.0003 H 1 UNL1111 0.1571 50 H 1.7059 2.0720 1.1651 H 1 UNL1111 0.1598 51 H 0.2852 3.1507 1.0850 H 1 UNL1111 0.1526 52 H 0.6859 3.7099 -1.1579 H 1 UNL1111 0.1585 53 H 0.9983 2.0466 -1.6273 H 1 UNL1111 0.1807 54 H 3.1198 3.6590 -0.0444 H 1 UNL1111 0.1190 55 H 3.0382 3.6159 -1.8484 H 1 UNL1111 0.1272 56 H 4.3303 1.8753 -0.7047 H 1 UNL1111 0.3505 @BOND 1 1 2 2 2 2 3 2 3 2 4 1 4 4 8 ar 5 4 5 ar 6 5 6 ar 7 5 33 1 8 6 7 ar 9 6 34 1 10 7 9 ar 11 7 35 1 12 8 9 ar 13 8 36 1 14 9 10 1 15 10 12 am 16 10 11 2 17 12 13 1 18 12 37 1 19 13 28 ar 20 13 14 ar 21 14 15 ar 22 15 16 ar 23 15 26 ar 24 16 17 ar 25 16 38 1 26 17 18 1 27 17 25 ar 28 18 19 1 29 19 21 1 30 19 20 2 31 21 23 1 32 21 24 1 33 21 22 1 34 22 39 1 35 22 40 1 36 22 41 1 37 23 42 1 38 23 43 1 39 23 44 1 40 24 45 1 41 24 46 1 42 24 47 1 43 25 27 ar 44 25 48 1 45 26 27 ar 46 26 28 ar 47 27 49 1 48 28 29 1 49 29 30 1 50 29 50 1 51 29 51 1 52 30 31 1 53 30 52 1 54 30 53 1 55 31 32 1 56 31 54 1 57 31 55 1 58 32 56 1