@MOLECULE FDBD02986 52 54 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.4866 -0.2260 0.4885 C.3 1 UNK -0.0278 2 C1 1.1001 -0.7446 0.2064 C.ar 1 UNK 0.0919 3 C2 0.6376 -1.2495 -1.0238 C.ar 1 UNK 0.1162 4 C3 1.4318 -1.3641 -2.2724 C.ar 1 UNK 0.0040 5 C4 0.8643 -1.0162 -3.4963 C.ar 1 UNK -0.0524 6 C5 1.6074 -1.1247 -4.6544 C.ar 1 UNK -0.0611 7 C6 2.9132 -1.5779 -4.6013 C.ar 1 UNK -0.0617 8 C7 3.4814 -1.9251 -3.3889 C.ar 1 UNK -0.0611 9 C8 2.7493 -1.8146 -2.2240 C.ar 1 UNK -0.0524 10 N -0.6212 -1.6026 -0.8739 N.ar 1 UNK -0.1595 11 N1 -0.9979 -1.3353 0.4484 N.ar 1 UNK -0.0778 12 C9 -2.3184 -1.5809 1.0333 C.3 1 UNK 0.1676 13 C10 0.0760 -0.8137 1.0945 C.ar 1 UNK 0.4001 14 O 0.1163 -0.4238 2.3943 O.3 1 UNK -0.4368 15 C11 0.4146 -1.4298 3.3644 C.3 1 UNK 0.1222 16 C12 0.3065 -0.8415 4.7477 C.ar 1 UNK 0.0136 17 C13 -0.0438 0.4849 4.9094 C.ar 1 UNK -0.0535 18 C14 -0.1427 1.0255 6.1781 C.ar 1 UNK -0.0613 19 C15 0.1085 0.2407 7.2889 C.ar 1 UNK -0.0599 20 C16 0.4591 -1.0859 7.1338 C.ar 1 UNK -0.0375 21 C17 0.5533 -1.6335 5.8610 C.ar 1 UNK 0.0740 22 N2 0.9084 -2.9777 5.7004 N.am 1 UNK -0.1136 23 C18 -0.0355 -3.9372 5.7710 C.2 1 UNK 0.4305 24 O1 -1.1949 -3.6351 5.9740 O.2 1 UNK -0.2236 25 O2 0.3061 -5.2304 5.6165 O.3 1 UNK -0.4519 26 C19 -0.7624 -6.2095 5.7048 C.3 1 UNK 0.0833 27 O3 2.2594 -3.3297 5.4639 O.3 1 UNK -0.2731 28 C20 3.0128 -3.5753 6.6530 C.3 1 UNK 0.0630 29 H 2.5480 0.0913 1.5085 H 1 UNK 0.0281 30 H1 2.6956 0.6022 -0.1559 H 1 UNK 0.0281 31 H2 3.2007 -1.0033 0.3132 H 1 UNK 0.0281 32 H3 -0.1099 -0.6780 -3.5369 H 1 UNK 0.0624 33 H4 1.1880 -0.8672 -5.5615 H 1 UNK 0.0618 34 H5 3.4655 -1.6573 -5.4694 H 1 UNK 0.0618 35 H6 4.4544 -2.2674 -3.3553 H 1 UNK 0.0618 36 H7 3.1770 -2.0652 -1.3189 H 1 UNK 0.0624 37 H8 -1.1990 -1.9884 -1.5714 H 1 UNK 0.2367 38 H9 -2.9660 -1.9969 0.2900 H 1 UNK 0.1017 39 H10 -2.7286 -0.6584 1.3878 H 1 UNK 0.1017 40 H11 -2.2251 -2.2667 1.8493 H 1 UNK 0.1017 41 H12 1.4090 -1.7926 3.2078 H 1 UNK 0.0750 42 H13 -0.2797 -2.2379 3.2652 H 1 UNK 0.0750 43 H14 -0.2319 1.0729 4.0824 H 1 UNK 0.0622 44 H15 -0.4045 2.0167 6.2965 H 1 UNK 0.0618 45 H16 0.0338 0.6470 8.2346 H 1 UNK 0.0618 46 H17 0.6509 -1.6698 7.9628 H 1 UNK 0.0637 47 H18 -0.3594 -7.1908 5.5653 H 1 UNK 0.0661 48 H19 -1.4908 -6.0119 4.9463 H 1 UNK 0.0661 49 H20 -1.2245 -6.1473 6.6679 H 1 UNK 0.0661 50 H21 4.0176 -3.8339 6.3915 H 1 UNK 0.0547 51 H22 2.5672 -4.3815 7.1974 H 1 UNK 0.0547 52 H23 3.0178 -2.6944 7.2604 H 1 UNK 0.0547 @BOND 1 1 2 1 2 2 13 ar 3 2 3 ar 4 3 4 1 5 3 10 ar 6 4 9 ar 7 4 5 ar 8 5 6 ar 9 6 7 ar 10 7 8 ar 11 8 9 ar 12 10 11 ar 13 11 12 1 14 11 13 ar 15 13 14 1 16 14 15 1 17 15 16 1 18 16 21 ar 19 16 17 ar 20 17 18 ar 21 18 19 ar 22 19 20 ar 23 20 21 ar 24 21 22 1 25 22 23 am 26 22 27 1 27 23 24 2 28 23 25 1 29 25 26 1 30 27 28 1 31 1 29 1 32 1 30 1 33 1 31 1 34 5 32 1 35 6 33 1 36 7 34 1 37 8 35 1 38 9 36 1 39 10 37 1 40 12 38 1 41 12 39 1 42 12 40 1 43 15 41 1 44 15 42 1 45 17 43 1 46 18 44 1 47 19 45 1 48 20 46 1 49 26 47 1 50 26 48 1 51 26 49 1 52 28 50 1 53 28 51 1 54 28 52 1