@MOLECULE bay q 7821 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.1779 1.5727 -0.9074 S.O2 1 UNL1111111111 2.3485 2 O -2.0805 0.6404 -1.9988 O.2 1 UNL1111111111 -0.8747 3 O -2.9493 2.7722 -1.0705 O.2 1 UNL1111111111 -0.8502 4 O -1.9627 0.1482 2.6280 O.2 1 UNL1111111111 -0.4807 5 N -0.8426 -2.3654 -0.2479 N.3 1 UNL1111111111 -0.4219 6 N 1.8617 -1.4792 -0.3135 N.pl3 1 UNL1111111111 -0.3642 7 N -2.7506 0.7365 0.5404 N.am 1 UNL1111111111 -0.7935 8 N 3.4808 -0.0918 -1.3319 N.ar 1 UNL1111111111 -0.5325 9 N 3.7549 -0.8540 0.9577 N.ar 1 UNL1111111111 -0.5303 10 C -2.0770 -3.1763 -0.3887 C.3 1 UNL1111111111 -0.1115 11 C -0.2160 -2.1068 -1.5634 C.3 1 UNL1111111111 -0.1302 12 C 0.1526 -2.9931 0.6473 C.3 1 UNL1111111111 -0.1300 13 C -3.2685 -2.2137 -0.5847 C.3 1 UNL1111111111 -0.2781 14 C 0.9388 -1.0970 -1.4024 C.3 1 UNL1111111111 -0.0838 15 C 1.2354 -1.9332 0.9445 C.3 1 UNL1111111111 -0.0856 16 C -3.6926 -1.5748 0.7426 C.3 1 UNL1111111111 -0.2995 17 C -3.9761 -0.0640 0.6313 C.3 1 UNL1111111111 -0.0164 18 C -0.6037 1.8997 -0.1871 C.ar 1 UNL1111111111 -0.3661 19 C -1.7932 0.6685 1.5532 C.2 1 UNL1111111111 0.5909 20 C -0.5470 1.3780 1.1143 C.ar 1 UNL1111111111 -0.0979 21 C 3.0371 -0.7764 -0.2182 C.ar 1 UNL1111111111 0.4911 22 C 0.4851 2.5501 -0.7295 C.ar 1 UNL1111111111 -0.0589 23 C 0.5892 1.5039 1.8901 C.ar 1 UNL1111111111 -0.0962 24 C 1.6457 2.6793 0.0510 C.ar 1 UNL1111111111 -0.1400 25 C 1.6973 2.1660 1.3415 C.ar 1 UNL1111111111 -0.1173 26 C 4.6935 0.4722 -1.2665 C.ar 1 UNL1111111111 0.1635 27 C 4.9616 -0.2740 0.9837 C.ar 1 UNL1111111111 0.1677 28 C 5.4904 0.4136 -0.1161 C.ar 1 UNL1111111111 -0.4332 29 H -2.0236 -3.8918 -1.2357 H 1 UNL1111111111 0.1125 30 H -2.2389 -3.7883 0.5229 H 1 UNL1111111111 0.1306 31 H -0.9831 -1.6464 -2.2353 H 1 UNL1111111111 0.1740 32 H 0.1526 -3.0313 -2.0552 H 1 UNL1111111111 0.1199 33 H 0.6151 -3.9086 0.2219 H 1 UNL1111111111 0.1298 34 H -0.3387 -3.2762 1.6035 H 1 UNL1111111111 0.1459 35 H -4.1138 -2.7590 -1.0380 H 1 UNL1111111111 0.1249 36 H -2.9856 -1.4337 -1.3239 H 1 UNL1111111111 0.1784 37 H 1.5134 -1.0416 -2.3596 H 1 UNL1111111111 0.1712 38 H 0.5287 -0.0803 -1.2147 H 1 UNL1111111111 0.1473 39 H 0.7794 -1.0709 1.4843 H 1 UNL1111111111 0.1485 40 H 2.0180 -2.3682 1.6113 H 1 UNL1111111111 0.1733 41 H -4.5887 -2.0826 1.1418 H 1 UNL1111111111 0.1321 42 H -2.9024 -1.7333 1.5096 H 1 UNL1111111111 0.1765 43 H -4.6260 0.1483 -0.2459 H 1 UNL1111111111 0.1403 44 H -4.5358 0.2701 1.5405 H 1 UNL1111111111 0.1446 45 H 0.4711 2.9583 -1.7421 H 1 UNL1111111111 0.1664 46 H 0.6225 1.0948 2.9021 H 1 UNL1111111111 0.1793 47 H 2.5161 3.1830 -0.3684 H 1 UNL1111111111 0.1556 48 H 2.6060 2.2690 1.9350 H 1 UNL1111111111 0.1567 49 H 5.0217 0.9941 -2.1756 H 1 UNL1111111111 0.1716 50 H 5.5096 -0.3653 1.9315 H 1 UNL1111111111 0.1724 51 H 6.4660 0.8746 -0.0797 H 1 UNL1111111111 0.1792 @BOND 1 1 2 2 2 1 3 2 3 1 7 1 4 1 18 1 5 4 19 2 6 5 10 1 7 5 11 1 8 5 12 1 9 6 14 1 10 6 15 1 11 6 21 1 12 7 17 1 13 7 19 am 14 8 21 ar 15 8 26 ar 16 9 21 ar 17 9 27 ar 18 10 13 1 19 10 29 1 20 10 30 1 21 11 14 1 22 11 31 1 23 11 32 1 24 12 15 1 25 12 33 1 26 12 34 1 27 13 16 1 28 13 35 1 29 13 36 1 30 14 37 1 31 14 38 1 32 15 39 1 33 15 40 1 34 16 17 1 35 16 41 1 36 16 42 1 37 17 43 1 38 17 44 1 39 18 20 ar 40 18 22 ar 41 19 20 1 42 20 23 ar 43 22 24 ar 44 22 45 1 45 23 25 ar 46 23 46 1 47 24 25 ar 48 24 47 1 49 25 48 1 50 26 28 ar 51 26 49 1 52 27 28 ar 53 27 50 1 54 28 51 1