@MOLECULE 2,3-dihydro-5-[1-(2-hydroxyethyl)-3-(4-pyridinyl)-1h-pyrazol-4-yl]-1h-inden-1-one oxime 43 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.9079 -1.6903 -0.6128 C.ar 1 UNL1 -0.0844 2 C 1.0564 -1.4993 0.4489 C.ar 1 UNL1 -0.2009 3 C 1.0630 0.3823 -1.1003 C.ar 1 UNL1 -0.1807 4 C 2.4582 0.4314 -1.0723 C.ar 1 UNL1 -0.0841 5 C -2.3780 2.9521 -0.4673 C.ar 1 UNL1 -0.2297 6 C -0.5663 2.2148 0.9420 C.ar 1 UNL1 -0.2361 7 C -2.0087 4.2687 -0.1688 C.ar 1 UNL1 0.0524 8 C -0.2656 3.5605 1.1784 C.ar 1 UNL1 0.0560 9 C -4.4413 -1.9761 -0.7143 C.3 1 UNL1 -0.1279 10 C -5.0295 -2.2751 0.6875 C.3 1 UNL1 -0.0156 11 H -6.9605 -2.3511 0.2506 H 1 UNL1 0.3161 12 C -1.0783 -0.5860 -0.3755 C.ar 1 UNL1 -0.1461 13 C -1.9683 0.5258 -0.1974 C.ar 1 UNL1 0.0337 14 C 0.3675 -0.5671 -0.3450 C.ar 1 UNL1 0.0527 15 C -1.6366 1.9093 0.0954 C.ar 1 UNL1 0.0705 16 C 3.3798 -2.3268 1.2409 C.3 1 UNL1 -0.2813 17 C 4.7948 -1.8018 0.8841 C.3 1 UNL1 -0.2924 18 O 6.7534 -0.2360 -0.3050 O.2 1 UNL1 -0.3304 19 O -6.2433 -2.9639 0.5153 O.3 1 UNL1 -0.5297 20 C 4.5783 -0.6504 -0.0756 C.2 1 UNL1 0.1236 21 H 7.2919 0.4365 -0.8222 H 1 UNL1 0.3122 22 C 2.4373 -1.4500 0.4723 C.ar 1 UNL1 0.0412 23 C 3.1344 -0.4861 -0.2848 C.ar 1 UNL1 -0.0639 24 N 5.4550 0.1025 -0.6496 N.2 1 UNL1 -0.2040 25 N -3.2591 0.1060 -0.3302 N.ar 1 UNL1 -0.2562 26 N -0.9711 4.5697 0.6337 N.ar 1 UNL1 -0.3719 27 N -3.2059 -1.2195 -0.5880 N.ar 1 UNL1 -0.0824 28 H -1.6512 -2.7130 -0.8041 H 1 UNL1 0.1822 29 H 0.5080 -2.2304 1.0350 H 1 UNL1 0.1611 30 H 0.5087 1.0912 -1.7147 H 1 UNL1 0.1658 31 H 3.0045 1.1743 -1.6541 H 1 UNL1 0.1720 32 H 3.2625 -3.3892 0.9618 H 1 UNL1 0.1576 33 H 3.1909 -2.2691 2.3281 H 1 UNL1 0.1588 34 H 5.3460 -1.4641 1.7805 H 1 UNL1 0.1656 35 H 5.4195 -2.5864 0.4202 H 1 UNL1 0.1653 36 H -3.2242 2.7411 -1.1170 H 1 UNL1 0.1774 37 H 0.0219 1.4243 1.4033 H 1 UNL1 0.1790 38 H -4.2492 -2.9254 -1.2642 H 1 UNL1 0.1665 39 H -5.1793 -1.3957 -1.3198 H 1 UNL1 0.1731 40 H -2.5547 5.1240 -0.5821 H 1 UNL1 0.1684 41 H 0.5693 3.8572 1.8240 H 1 UNL1 0.1726 42 H -4.4033 -2.9860 1.2583 H 1 UNL1 0.1513 43 H -5.1731 -1.3515 1.2770 H 1 UNL1 0.1425 @BOND 1 30 3 1 2 31 4 1 3 39 9 1 4 38 9 1 5 36 5 1 6 3 4 ar 7 3 14 ar 8 4 23 ar 9 21 18 1 10 28 1 1 11 9 27 1 12 9 10 1 13 24 18 1 14 24 20 2 15 1 27 ar 16 1 12 ar 17 27 25 ar 18 40 7 1 19 5 7 ar 20 5 15 ar 21 12 14 1 22 12 13 ar 23 14 2 ar 24 25 13 ar 25 23 20 1 26 23 22 ar 27 13 15 1 28 7 26 ar 29 20 17 1 30 15 6 ar 31 11 19 1 32 35 17 1 33 2 22 ar 34 2 29 1 35 22 16 1 36 19 10 1 37 26 8 ar 38 10 42 1 39 10 43 1 40 17 16 1 41 17 34 1 42 6 8 ar 43 6 37 1 44 32 16 1 45 8 41 1 46 16 33 1