@MOLECULE tivantinib 47 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0791 3.7683 1.6079 O.2 1 UNL1111111111 -0.4538 2 O 3.0386 2.8522 -1.5638 O.2 1 UNL1111111111 -0.4578 3 N -3.0153 0.9661 -0.4080 N.ar 1 UNL1111111111 -0.2639 4 N 1.5538 3.5865 0.0162 N.am 1 UNL1111111111 -0.6634 5 N 4.2405 -0.9256 0.6117 N.ar 1 UNL1111111111 -0.3740 6 C 0.4736 1.5581 0.6560 C.3 1 UNL1111111111 -0.1525 7 C 1.4693 1.2634 -0.5169 C.3 1 UNL1111111111 -0.1601 8 C -0.8859 1.0898 0.3516 C.ar 1 UNL1111111111 -0.1489 9 C -2.7213 -0.2547 0.1842 C.ar 1 UNL1111111111 0.0590 10 C -1.3874 -0.2176 0.6765 C.ar 1 UNL1111111111 -0.0538 11 C -1.9039 1.7880 -0.3026 C.ar 1 UNL1111111111 -0.0166 12 C -4.3423 1.2115 -0.9533 C.3 1 UNL1111111111 -0.0746 13 C -3.5724 -1.3658 0.2853 C.ar 1 UNL1111111111 -0.0393 14 C 2.4290 0.2044 -0.1692 C.ar 1 UNL1111111111 -0.1296 15 C -4.9694 -0.1347 -1.3915 C.3 1 UNL1111111111 -0.2869 16 C -4.9475 -1.2028 -0.2771 C.3 1 UNL1111111111 -0.2703 17 C 0.5485 3.0680 0.8637 C.2 1 UNL1111111111 0.5815 18 C 2.1521 2.5994 -0.7962 C.2 1 UNL1111111111 0.5810 19 C -0.9017 -1.3702 1.3126 C.ar 1 UNL1111111111 -0.1213 20 C 2.2082 -1.1994 -0.3962 C.ar 1 UNL1111111111 -0.0628 21 C -3.0546 -2.4801 0.9093 C.ar 1 UNL1111111111 -0.1653 22 C 3.6709 0.3362 0.4335 C.ar 1 UNL1111111111 -0.0166 23 C -1.7310 -2.4708 1.4172 C.ar 1 UNL1111111111 -0.1719 24 C 3.3614 -1.8833 0.1022 C.ar 1 UNL1111111111 0.1024 25 C 1.1651 -1.9409 -0.9609 C.ar 1 UNL1111111111 -0.0958 26 C 3.4771 -3.2787 0.0501 C.ar 1 UNL1111111111 -0.2226 27 C 1.2820 -3.3173 -1.0122 C.ar 1 UNL1111111111 -0.1920 28 C 2.4248 -3.9777 -0.5109 C.ar 1 UNL1111111111 -0.1122 29 H 0.8399 1.0606 1.5962 H 1 UNL1111111111 0.1971 30 H 0.8935 0.9669 -1.4357 H 1 UNL1111111111 0.1962 31 H -1.9041 2.7955 -0.6748 H 1 UNL1111111111 0.1713 32 H -4.2791 1.9105 -1.8163 H 1 UNL1111111111 0.1487 33 H -4.9779 1.6971 -0.1746 H 1 UNL1111111111 0.1517 34 H -4.4210 -0.5231 -2.2731 H 1 UNL1111111111 0.1559 35 H -6.0087 0.0395 -1.7242 H 1 UNL1111111111 0.1488 36 H -5.3303 -2.1629 -0.6769 H 1 UNL1111111111 0.1543 37 H -5.6461 -0.9162 0.5380 H 1 UNL1111111111 0.1577 38 H 1.8107 4.5584 -0.0103 H 1 UNL1111111111 0.3335 39 H 0.1140 -1.3889 1.7029 H 1 UNL1111111111 0.1631 40 H -3.6536 -3.3796 1.0229 H 1 UNL1111111111 0.1508 41 H 4.1913 1.2276 0.7356 H 1 UNL1111111111 0.1717 42 H -1.3648 -3.3738 1.9042 H 1 UNL1111111111 0.1527 43 H 5.1419 -1.1085 0.9831 H 1 UNL1111111111 0.3123 44 H 0.2773 -1.4343 -1.3375 H 1 UNL1111111111 0.1627 45 H 4.3553 -3.7841 0.4331 H 1 UNL1111111111 0.1537 46 H 0.4802 -3.9143 -1.4421 H 1 UNL1111111111 0.1534 47 H 2.4692 -5.0641 -0.5726 H 1 UNL1111111111 0.1469 @BOND 1 1 17 2 2 2 18 2 3 3 9 ar 4 3 11 ar 5 3 12 1 6 4 17 am 7 4 18 am 8 4 38 1 9 5 22 ar 10 5 24 ar 11 5 43 1 12 6 7 1 13 6 8 1 14 6 17 1 15 6 29 1 16 7 14 1 17 7 18 1 18 7 30 1 19 8 10 ar 20 8 11 ar 21 9 10 ar 22 9 13 ar 23 10 19 ar 24 11 31 1 25 12 15 1 26 12 32 1 27 12 33 1 28 13 16 1 29 13 21 ar 30 14 20 ar 31 14 22 ar 32 15 16 1 33 15 34 1 34 15 35 1 35 16 36 1 36 16 37 1 37 19 23 ar 38 19 39 1 39 20 24 ar 40 20 25 ar 41 21 23 ar 42 21 40 1 43 22 41 1 44 23 42 1 45 24 26 ar 46 25 27 ar 47 25 44 1 48 26 28 ar 49 26 45 1 50 27 28 ar 51 27 46 1 52 28 47 1