@MOLECULE FDBD00195 63 63 0 0 0 SMALL GASTEIGER @ATOM 1 S -6.4856 -0.2029 -1.3796 S.O2 1 UNK 0.0403 2 O -0.6542 -0.4981 3.2808 O.3 1 UNK -0.3872 3 O1 -7.9255 -0.3199 -1.5153 O.2 1 UNK -0.1555 4 O2 -5.8519 1.1003 -1.3482 O.2 1 UNK -0.1555 5 N 2.2669 2.0223 -0.2108 N.4 1 UNK 0.2350 6 N1 -5.9851 -1.1633 -0.0404 N.pl3 1 UNK -0.2209 7 C 3.1406 1.1278 -0.9609 C.3 1 UNK -0.0319 8 C1 0.8957 1.9491 -0.7186 C.3 1 UNK -0.0318 9 C2 4.3758 0.7745 -0.1325 C.3 1 UNK -0.0125 10 C3 0.1931 0.6846 -0.2233 C.3 1 UNK -0.0099 11 C4 5.3014 -0.1722 -0.9011 C.3 1 UNK -0.0483 12 C5 0.1105 0.6635 1.3058 C.3 1 UNK -0.0179 13 C6 6.5758 -0.5353 -0.1332 C.3 1 UNK -0.0529 14 C7 2.7596 3.3992 -0.2769 C.3 1 UNK -0.0348 15 C8 -0.6112 -0.5769 1.8548 C.3 1 UNK 0.0804 16 C9 7.4653 -1.5391 -0.8700 C.3 1 UNK -0.0533 17 C10 -2.0284 -0.7313 1.3539 C.ar 1 UNK -0.0190 18 C11 8.7267 -1.8554 -0.0652 C.3 1 UNK -0.0559 19 C12 1.8581 4.3429 0.5009 C.3 1 UNK -0.0245 20 C13 -2.9548 0.2918 1.5561 C.ar 1 UNK -0.0543 21 C14 -2.4109 -1.8973 0.6906 C.ar 1 UNK -0.0543 22 C15 9.6309 -2.8277 -0.8062 C.3 1 UNK -0.0653 23 C16 -4.2634 0.1489 1.0950 C.ar 1 UNK -0.0390 24 C17 -3.7194 -2.0402 0.2295 C.ar 1 UNK -0.0390 25 C18 -4.6458 -1.0170 0.4316 C.ar 1 UNK 0.0477 26 C19 -5.7643 -1.1284 -2.7167 C.3 1 UNK 0.0736 27 H 0.2466 -0.3984 3.6264 H 1 UNK 0.2102 28 H1 2.2678 1.7241 0.7646 H 1 UNK 0.2033 29 H2 -6.6058 -1.7961 0.3880 H 1 UNK 0.1733 30 H3 3.4482 1.6108 -1.8648 H 1 UNK 0.0814 31 H4 2.6059 0.2295 -1.1889 H 1 UNK 0.0814 32 H5 0.9190 1.9399 -1.7883 H 1 UNK 0.0814 33 H6 0.3549 2.8007 -0.3620 H 1 UNK 0.0814 34 H7 4.0645 0.2993 0.7742 H 1 UNK 0.0317 35 H8 4.9118 1.6757 0.0806 H 1 UNK 0.0317 36 H9 0.7406 -0.1725 -0.5557 H 1 UNK 0.0318 37 H10 -0.8014 0.6714 -0.6178 H 1 UNK 0.0318 38 H11 5.5819 0.2997 -1.8195 H 1 UNK 0.0267 39 H12 4.7601 -1.0811 -1.0615 H 1 UNK 0.0267 40 H13 -0.4176 1.5358 1.6301 H 1 UNK 0.0295 41 H14 1.1132 0.6396 1.6786 H 1 UNK 0.0295 42 H15 6.2951 -0.9585 0.8086 H 1 UNK 0.0265 43 H16 7.1430 0.3649 -0.0197 H 1 UNK 0.0265 44 H17 2.7905 3.7102 -1.3003 H 1 UNK 0.0812 45 H18 3.7374 3.4305 0.1564 H 1 UNK 0.0812 46 H19 -0.0559 -1.4241 1.5102 H 1 UNK 0.0643 47 H20 7.7490 -1.1259 -1.8153 H 1 UNK 0.0265 48 H21 6.9133 -2.4457 -1.0048 H 1 UNK 0.0265 49 H22 8.4424 -2.2892 0.8707 H 1 UNK 0.0263 50 H23 9.2661 -0.9437 0.0859 H 1 UNK 0.0263 51 H24 0.8744 4.3241 0.0803 H 1 UNK 0.0281 52 H25 2.2504 5.3369 0.4463 H 1 UNK 0.0281 53 H26 1.8146 4.0324 1.5239 H 1 UNK 0.0281 54 H27 -2.6719 1.1545 2.0469 H 1 UNK 0.0622 55 H28 -1.7256 -2.6543 0.5410 H 1 UNK 0.0622 56 H29 9.1091 -3.7478 -0.9675 H 1 UNK 0.0230 57 H30 10.5089 -3.0131 -0.2234 H 1 UNK 0.0230 58 H31 9.9110 -2.4064 -1.7491 H 1 UNK 0.0230 59 H32 -4.9487 0.9058 1.2447 H 1 UNK 0.0637 60 H33 -4.0023 -2.9029 -0.2612 H 1 UNK 0.0637 61 H34 -5.9909 -0.6483 -3.6457 H 1 UNK 0.0482 62 H35 -6.1652 -2.1205 -2.7208 H 1 UNK 0.0482 63 H36 -4.7030 -1.1731 -2.5878 H 1 UNK 0.0482 @BOND 1 1 3 2 2 1 4 2 3 1 6 1 4 1 26 1 5 2 15 1 6 5 7 1 7 5 8 1 8 5 14 1 9 6 25 1 10 7 9 1 11 8 10 1 12 9 11 1 13 10 12 1 14 11 13 1 15 12 15 1 16 13 16 1 17 14 19 1 18 15 17 1 19 16 18 1 20 17 20 ar 21 17 21 ar 22 18 22 1 23 20 23 ar 24 21 24 ar 25 23 25 ar 26 24 25 ar 27 2 27 1 28 5 28 1 29 6 29 1 30 7 30 1 31 7 31 1 32 8 32 1 33 8 33 1 34 9 34 1 35 9 35 1 36 10 36 1 37 10 37 1 38 11 38 1 39 11 39 1 40 12 40 1 41 12 41 1 42 13 42 1 43 13 43 1 44 14 44 1 45 14 45 1 46 15 46 1 47 16 47 1 48 16 48 1 49 18 49 1 50 18 50 1 51 19 51 1 52 19 52 1 53 19 53 1 54 20 54 1 55 21 55 1 56 22 56 1 57 22 57 1 58 22 58 1 59 23 59 1 60 24 60 1 61 26 61 1 62 26 62 1 63 26 63 1