@MOLECULE FDBD00515 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.2605 2.3727 0.5719 O.2 1 UNK -0.2654 2 O1 3.4107 0.1935 3.2949 O.2 1 UNK -0.2790 3 O2 -3.6822 0.9490 -2.3310 O.2 1 UNK -0.2702 4 O3 -7.7095 2.6625 0.1695 O.co2 1 UNK -0.5479 5 O4 -5.9769 2.3497 1.6014 O.co2 1 UNK -0.5479 6 O5 -8.0624 -2.9867 0.9009 O.co2 1 UNK -0.5498 7 O6 -8.3143 -2.3731 -1.2688 O.co2 1 UNK -0.5498 8 N 4.4908 -0.3413 1.2786 N.am 1 UNK -0.2570 9 N1 5.4162 -2.2312 -0.5260 N.pl3 1 UNK -0.2881 10 N2 1.4958 -0.6785 0.9760 N.pl3 1 UNK -0.3420 11 N3 6.7933 -0.5490 -1.5485 N.ar 1 UNK -0.1617 12 N4 6.9827 1.6471 -0.7325 N.ar 1 UNK -0.2540 13 N5 -4.5828 0.9145 -0.1945 N.am 1 UNK -0.3034 14 N6 8.4131 0.8342 -2.4139 N.pl3 1 UNK -0.2898 15 C 3.7334 -1.6070 1.1125 C.3 1 UNK 0.0622 16 C1 4.6299 -2.7290 0.5775 C.3 1 UNK 0.0348 17 C2 2.5011 -1.3821 0.2284 C.3 1 UNK 0.0296 18 C3 5.4204 0.0013 0.2847 C.ar 1 UNK 0.1900 19 C4 5.8627 -0.9252 -0.6046 C.ar 1 UNK 0.2993 20 C5 5.8798 1.4347 0.0790 C.ar 1 UNK 0.2839 21 C6 4.2198 0.4359 2.4036 C.2 1 UNK 0.2074 22 C7 0.2555 -0.3199 0.4621 C.ar 1 UNK 0.0272 23 C8 7.3736 0.6926 -1.5325 C.ar 1 UNK 0.3518 24 C9 -0.6593 0.3645 1.2623 C.ar 1 UNK -0.0401 25 C10 -0.0741 -0.6430 -0.8543 C.ar 1 UNK -0.0401 26 C11 -5.9332 1.2603 -0.5763 C.3 1 UNK 0.0632 27 C12 -6.7857 0.0314 -0.9156 C.3 1 UNK -0.0241 28 C13 -2.2335 0.4024 -0.5700 C.ar 1 UNK 0.0368 29 C14 -1.9037 0.7256 0.7462 C.ar 1 UNK -0.0479 30 C15 -1.3186 -0.2818 -1.3703 C.ar 1 UNK -0.0479 31 C16 -3.5310 0.7795 -1.1081 C.2 1 UNK 0.2446 32 C17 -7.0106 -0.9630 0.2306 C.3 1 UNK -0.0112 33 C18 -6.5146 2.1224 0.5253 C.2 1 UNK 0.0620 34 C19 -7.8468 -2.1631 -0.1582 C.2 1 UNK 0.0418 35 H 5.6451 -2.8504 -1.2564 H 1 UNK 0.1516 36 H1 1.6979 -0.4359 1.9085 H 1 UNK 0.1461 37 H2 7.0479 -1.1884 -2.2525 H 1 UNK 0.4578 38 H3 7.4644 2.5053 -0.7061 H 1 UNK 0.1760 39 H4 -4.3924 0.7658 0.7599 H 1 UNK 0.1496 40 H5 8.6699 0.0836 -2.9969 H 1 UNK 0.1493 41 H6 8.9032 1.6866 -2.4642 H 1 UNK 0.1493 42 H7 3.3887 -1.9231 2.0749 H 1 UNK 0.0535 43 H8 5.2815 -3.0669 1.3561 H 1 UNK 0.0482 44 H9 4.0215 -3.5433 0.2434 H 1 UNK 0.0482 45 H10 2.7779 -0.8041 -0.6285 H 1 UNK 0.0480 46 H11 2.1128 -2.3274 -0.0885 H 1 UNK 0.0480 47 H12 4.7583 1.3112 2.4977 H 1 UNK 0.1257 48 H13 -0.4154 0.6037 2.2361 H 1 UNK 0.0636 49 H14 0.6028 -1.1492 -1.4464 H 1 UNK 0.0636 50 H15 -5.9269 1.8189 -1.4889 H 1 UNK 0.0560 51 H16 -6.3034 -0.4922 -1.7144 H 1 UNK 0.0290 52 H17 -7.7547 0.4103 -1.1656 H 1 UNK 0.0290 53 H18 -2.5805 1.2320 1.3382 H 1 UNK 0.0626 54 H19 -1.5625 -0.5208 -2.3442 H 1 UNK 0.0626 55 H20 -7.5057 -0.4511 1.0292 H 1 UNK 0.0325 56 H21 -6.0480 -1.3328 0.5162 H 1 UNK 0.0325 @BOND 1 1 20 2 2 2 21 2 3 3 31 2 4 4 33 ar 5 5 33 ar 6 6 34 ar 7 7 34 ar 8 8 15 1 9 8 18 1 10 8 21 am 11 9 16 1 12 9 19 1 13 10 17 1 14 10 22 1 15 11 19 ar 16 11 23 ar 17 12 20 ar 18 12 23 ar 19 13 26 1 20 13 31 am 21 14 23 1 22 15 16 1 23 15 17 1 24 18 19 ar 25 18 20 ar 26 22 24 ar 27 22 25 ar 28 24 29 ar 29 25 30 ar 30 26 27 1 31 26 33 1 32 27 32 1 33 28 29 ar 34 28 30 ar 35 28 31 1 36 32 34 1 37 9 35 1 38 10 36 1 39 11 37 1 40 12 38 1 41 13 39 1 42 14 40 1 43 14 41 1 44 15 42 1 45 16 43 1 46 16 44 1 47 17 45 1 48 17 46 1 49 21 47 1 50 24 48 1 51 25 49 1 52 26 50 1 53 27 51 1 54 27 52 1 55 29 53 1 56 30 54 1 57 32 55 1 58 32 56 1