@MOLECULE FDBD02350 43 43 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0439 1.5370 -0.0711 C.3 1 UNK -0.0306 2 C1 -0.0190 0.0073 -0.0570 C.3 1 UNK 0.0897 3 O -1.3799 -0.4990 -0.0571 O.3 1 UNK -0.4642 4 C2 -1.5341 -1.8323 -0.0453 C.2 1 UNK 0.3215 5 O1 -0.5640 -2.5526 -0.0353 O.2 1 UNK -0.2498 6 C3 -2.9171 -2.4310 -0.0447 C.3 1 UNK 0.1468 7 S -2.7929 -4.2366 -0.0276 S.3 1 UNK 0.2198 8 C4 -4.5031 -4.6609 -0.0297 C.cat 1 UNK 0.7049 9 N -5.5132 -3.8176 -0.0468 N.2 1 UNK 0.2436 10 C5 -6.6642 -4.4920 -0.0430 C.cat 1 UNK 0.4807 11 C6 -8.0372 -3.8710 -0.0595 C.3 1 UNK 0.0832 12 C7 -7.9072 -2.3467 -0.0807 C.3 1 UNK -0.0483 13 C8 -8.7922 -4.3358 -1.3065 C.3 1 UNK -0.0483 14 C9 -8.8061 -4.3000 1.1917 C.3 1 UNK -0.0483 15 N1 -6.4164 -5.7732 -0.0236 N.2 1 UNK 0.2869 16 N2 -5.0201 -5.9233 -0.0199 N.am 1 UNK 0.3441 17 C10 -4.3300 -7.0809 -0.0026 C.2 1 UNK 0.5834 18 O2 -3.1187 -7.0676 -0.0969 O.2 1 UNK -0.1906 19 N3 -4.9836 -8.2532 0.1194 N.am 1 UNK -0.2416 20 C11 -4.2486 -9.5161 0.0137 C.3 1 UNK 0.0089 21 C12 -6.4291 -8.2647 0.3578 C.3 1 UNK 0.0089 22 H 0.9590 1.9101 -0.0710 H 1 UNK 0.0262 23 H1 -0.5571 1.8934 0.7975 H 1 UNK 0.0262 24 H2 -0.5510 1.8774 -0.9497 H 1 UNK 0.0262 25 H3 0.4881 -0.3331 0.8216 H 1 UNK 0.0694 26 H4 0.4942 -0.3491 -0.9257 H 1 UNK 0.0694 27 H5 -3.4417 -2.1179 -0.9232 H 1 UNK 0.0536 28 H6 -3.4479 -2.1018 0.8241 H 1 UNK 0.0536 29 H7 -7.3694 -2.0467 -0.9558 H 1 UNK 0.0241 30 H8 -7.3792 -2.0216 0.7913 H 1 UNK 0.0241 31 H9 -8.8820 -1.9057 -0.0925 H 1 UNK 0.0241 32 H10 -8.2544 -4.0358 -2.1815 H 1 UNK 0.0241 33 H11 -9.7670 -3.8948 -1.3183 H 1 UNK 0.0241 34 H12 -8.8831 -5.4018 -1.2917 H 1 UNK 0.0241 35 H13 -8.2781 -3.9749 2.0637 H 1 UNK 0.0241 36 H14 -8.8970 -5.3660 1.2065 H 1 UNK 0.0241 37 H15 -9.7809 -3.8591 1.1799 H 1 UNK 0.0241 38 H16 -3.2126 -9.3124 -0.1596 H 1 UNK 0.0430 39 H17 -4.6403 -10.0897 -0.8002 H 1 UNK 0.0430 40 H18 -4.3561 -10.0686 0.9237 H 1 UNK 0.0430 41 H19 -6.7908 -7.2588 0.4051 H 1 UNK 0.0430 42 H20 -6.6340 -8.7613 1.2832 H 1 UNK 0.0430 43 H21 -6.9182 -8.7824 -0.4408 H 1 UNK 0.0430 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 1 8 8 16 1 9 8 9 2 10 9 10 1 11 10 11 1 12 10 15 2 13 11 12 1 14 11 13 1 15 11 14 1 16 15 16 1 17 16 17 am 18 17 18 2 19 17 19 am 20 19 20 1 21 19 21 1 22 1 22 1 23 1 23 1 24 1 24 1 25 2 25 1 26 2 26 1 27 6 27 1 28 6 28 1 29 12 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 14 37 1 38 20 38 1 39 20 39 1 40 20 40 1 41 21 41 1 42 21 42 1 43 21 43 1