@MOLECULE resminostat 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.1207 2.6362 -0.3539 S.O2 1 UNL1111111111 2.3532 2 O 1.3735 3.6642 0.6149 O.2 1 UNL1111111111 -0.8653 3 O 0.9004 2.8950 -1.7493 O.2 1 UNL1111111111 -0.8664 4 O -5.6692 -1.4654 -1.3798 O.2 1 UNL1111111111 -0.5208 5 O -7.7060 -2.1915 0.1216 O.3 1 UNL1111111111 -0.3054 6 N -0.3840 1.8635 0.1785 N.ar 1 UNL1111111111 -0.5531 7 N 4.4257 -3.1586 -0.2563 N.3 1 UNL1111111111 -0.3826 8 N -6.4976 -1.7935 0.7066 N.am 1 UNL1111111111 -0.3939 9 C 2.2701 1.3437 -0.1617 C.ar 1 UNL1111111111 -0.4282 10 C 4.0428 -0.7805 0.1715 C.ar 1 UNL1111111111 0.0689 11 C 4.9961 -1.9310 0.3562 C.3 1 UNL1111111111 -0.1607 12 C 2.4600 0.4262 -1.1973 C.ar 1 UNL1111111111 -0.0543 13 C 2.9877 1.2165 1.0273 C.ar 1 UNL1111111111 -0.0465 14 C 3.3447 -0.6326 -1.0299 C.ar 1 UNL1111111111 -0.1768 15 C 3.8715 0.1541 1.1960 C.ar 1 UNL1111111111 -0.2194 16 C -1.3217 1.2600 -0.6514 C.ar 1 UNL1111111111 -0.0036 17 C -0.8334 1.7481 1.5042 C.ar 1 UNL1111111111 -0.0573 18 C -2.3493 0.7402 0.1407 C.ar 1 UNL1111111111 -0.1492 19 C -2.0309 1.0566 1.5049 C.ar 1 UNL1111111111 -0.1923 20 C 3.2757 -3.6540 0.5303 C.3 1 UNL1111111111 -0.2886 21 C 5.4633 -4.2055 -0.3738 C.3 1 UNL1111111111 -0.2791 22 C -3.4914 0.0256 -0.3532 C.2 1 UNL1111111111 0.0227 23 C -4.4434 -0.5153 0.4292 C.2 1 UNL1111111111 -0.3542 24 C -5.5675 -1.2259 -0.1922 C.2 1 UNL1111111111 0.5566 25 H 5.9507 -1.6859 -0.1722 H 1 UNL1111111111 0.1611 26 H 5.2613 -2.0688 1.4278 H 1 UNL1111111111 0.1314 27 H 1.9259 0.5267 -2.1497 H 1 UNL1111111111 0.1735 28 H 2.8722 1.9446 1.8391 H 1 UNL1111111111 0.1720 29 H 3.4915 -1.3671 -1.8267 H 1 UNL1111111111 0.1841 30 H 4.4229 0.0532 2.1284 H 1 UNL1111111111 0.1578 31 H -1.2140 1.2456 -1.7237 H 1 UNL1111111111 0.1808 32 H -0.2844 2.1744 2.3230 H 1 UNL1111111111 0.1713 33 H -2.6264 0.7990 2.3538 H 1 UNL1111111111 0.1592 34 H 2.5031 -2.8678 0.5792 H 1 UNL1111111111 0.1493 35 H 3.5213 -3.9623 1.5568 H 1 UNL1111111111 0.1245 36 H 2.8283 -4.5135 0.0019 H 1 UNL1111111111 0.1551 37 H 5.0210 -5.0884 -0.8670 H 1 UNL1111111111 0.1524 38 H 5.9022 -4.5261 0.5821 H 1 UNL1111111111 0.1220 39 H 6.2713 -3.8420 -1.0304 H 1 UNL1111111111 0.1468 40 H -3.5624 -0.0700 -1.4490 H 1 UNL1111111111 0.1694 41 H -4.4131 -0.4612 1.5124 H 1 UNL1111111111 0.1702 42 H -6.7691 -1.3202 1.5543 H 1 UNL1111111111 0.3002 43 H -7.4363 -2.7012 -0.7072 H 1 UNL1111111111 0.3152 @BOND 1 1 2 2 2 1 3 2 3 1 6 1 4 1 9 1 5 4 24 2 6 5 8 1 7 5 43 1 8 6 16 ar 9 6 17 ar 10 7 11 1 11 7 20 1 12 7 21 1 13 8 24 am 14 8 42 1 15 9 12 ar 16 9 13 ar 17 10 11 1 18 10 14 ar 19 10 15 ar 20 11 25 1 21 11 26 1 22 12 14 ar 23 12 27 1 24 13 15 ar 25 13 28 1 26 14 29 1 27 15 30 1 28 16 18 ar 29 16 31 1 30 17 19 ar 31 17 32 1 32 18 19 ar 33 18 22 1 34 19 33 1 35 20 34 1 36 20 35 1 37 20 36 1 38 21 37 1 39 21 38 1 40 21 39 1 41 22 23 2 42 22 40 1 43 23 24 1 44 23 41 1