@MOLECULE FDBD03237 59 60 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0163 1.3537 0.0095 C.ar 1 UNK 0.0312 2 C1 1.1795 2.0467 0.0018 C.ar 1 UNK 0.1392 3 C2 2.4301 1.2702 -0.0143 C.ar 1 UNK 0.2680 4 O 3.5101 1.8306 -0.0212 O.2 1 UNK -0.2668 5 N 2.3519 -0.0772 -0.0208 N.ar 1 UNK -0.2742 6 H 3.1645 -0.6069 -0.0314 H 1 UNK 0.1735 7 C3 1.1558 -0.6900 -0.0122 C.ar 1 UNK 0.3314 8 O1 1.1174 -1.9049 -0.0176 O.2 1 UNK -0.2464 9 N1 0.0021 -0.0041 0.0020 N.ar 1 UNK -0.2707 10 C4 -1.2663 -0.7371 0.0112 C.3 1 UNK 0.1680 11 H1 -2.1020 -0.0465 0.1239 H 1 UNK 0.0867 12 C5 -1.4207 -1.5610 -1.2864 C.3 1 UNK 0.1286 13 H2 -0.4444 -1.7765 -1.7204 H 1 UNK 0.0665 14 C6 -2.1072 -2.8655 -0.8234 C.3 1 UNK 0.1137 15 H3 -1.4703 -3.7259 -1.0286 H 1 UNK 0.0647 16 C7 -2.2864 -2.6754 0.6991 C.3 1 UNK 0.1182 17 H4 -3.2796 -2.2834 0.9183 H 1 UNK 0.0648 18 C8 -2.0643 -4.0005 1.4311 C.3 1 UNK 0.1493 19 H5 -2.7263 -4.7604 1.0157 H 1 UNK 0.0642 20 C9 -0.6314 -4.4348 1.2602 C.2 1 UNK 0.3279 21 O2 0.0745 -4.5832 2.2294 O.2 1 UNK -0.2488 22 O3 -0.1394 -4.6568 0.0312 O.3 1 UNK -0.4793 23 N2 -2.3550 -3.8258 2.8563 N.am 1 UNK -0.2989 24 C10 -2.7224 -4.8853 3.6039 C.2 1 UNK 0.2332 25 O4 -2.8123 -5.9834 3.0968 O.2 1 UNK -0.2740 26 C11 -3.0214 -4.7057 5.0700 C.3 1 UNK 0.1110 27 H6 -2.3021 -4.0118 5.5051 H 1 UNK 0.0581 28 C12 -4.4354 -4.1458 5.2372 C.3 1 UNK 0.1077 29 H7 -4.5073 -3.1831 4.7311 H 1 UNK 0.0641 30 C13 -4.7390 -3.9634 6.7256 C.3 1 UNK 0.1169 31 H8 -4.0770 -3.2035 7.1410 H 1 UNK 0.0654 32 C14 -6.1938 -3.5224 6.8991 C.3 1 UNK 0.1223 33 O5 -6.4487 -3.2352 8.2994 O.3 1 UNK -0.4478 34 C15 -7.6914 -2.8315 8.6241 C.2 1 UNK 0.3977 35 O6 -8.5397 -2.7222 7.7610 O.2 1 UNK -0.2267 36 N3 -7.9946 -2.5487 9.9066 N.am 1 UNK -0.2950 37 O7 -4.5316 -5.2010 7.4093 O.3 1 UNK -0.3858 38 O8 -5.3784 -5.0554 4.6667 O.3 1 UNK -0.3871 39 N4 -2.9246 -6.0031 5.7521 N.3 1 UNK -0.3178 40 O9 -1.2746 -1.7142 1.0747 O.3 1 UNK -0.3455 41 O10 -3.3752 -3.0187 -1.4643 O.3 1 UNK -0.3864 42 O11 -2.2426 -0.8657 -2.2261 O.3 1 UNK -0.3847 43 C16 1.2019 3.5156 0.0090 C.2 1 UNK 0.3435 44 O12 0.1585 4.1394 0.0219 O.2 1 UNK -0.2449 45 O13 2.3795 4.1718 0.0013 O.3 1 UNK -0.4770 46 H9 -0.9556 1.8865 0.0258 H 1 UNK 0.0821 47 H10 0.7851 -4.9339 -0.0281 H 1 UNK 0.2951 48 H11 -2.2831 -2.9476 3.2618 H 1 UNK 0.1496 49 H12 -6.3751 -2.6264 6.3056 H 1 UNK 0.0725 50 H13 -6.8575 -4.3200 6.5651 H 1 UNK 0.0725 51 H14 -7.3174 -2.6359 10.5956 H 1 UNK 0.1482 52 H15 -8.8899 -2.2578 10.1405 H 1 UNK 0.1482 53 H16 -5.0889 -5.9243 7.0909 H 1 UNK 0.2100 54 H17 -5.3701 -5.9345 5.0695 H 1 UNK 0.2100 55 H18 -3.5820 -6.6643 5.3665 H 1 UNK 0.1190 56 H19 -1.9831 -6.3637 5.7113 H 1 UNK 0.1190 57 H20 -3.3238 -3.0826 -2.4278 H 1 UNK 0.2100 58 H21 -2.3730 -1.3381 -3.0597 H 1 UNK 0.2101 59 H22 2.3436 5.1381 0.0065 H 1 UNK 0.2954 @BOND 1 1 9 ar 2 1 2 ar 3 1 46 1 4 2 3 ar 5 2 43 1 6 3 4 2 7 3 5 ar 8 5 6 1 9 5 7 ar 10 7 8 2 11 7 9 ar 12 9 10 1 13 10 11 1 14 10 40 1 15 10 12 1 16 12 13 1 17 12 14 1 18 12 42 1 19 14 15 1 20 14 16 1 21 14 41 1 22 16 17 1 23 16 18 1 24 16 40 1 25 18 19 1 26 18 20 1 27 18 23 1 28 20 21 2 29 20 22 1 30 22 47 1 31 23 24 am 32 23 48 1 33 24 25 2 34 24 26 1 35 26 27 1 36 26 28 1 37 26 39 1 38 28 29 1 39 28 30 1 40 28 38 1 41 30 31 1 42 30 32 1 43 30 37 1 44 32 33 1 45 32 49 1 46 32 50 1 47 33 34 1 48 34 35 2 49 34 36 am 50 36 51 1 51 36 52 1 52 37 53 1 53 38 54 1 54 39 55 1 55 39 56 1 56 41 57 1 57 42 58 1 58 43 44 2 59 43 45 1 60 45 59 1