@MOLECULE FDBD02110 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.4341 0.2806 0.4499 C.3 1 UNK -0.0410 2 C1 -0.1175 -1.2005 0.2329 C.3 1 UNK 0.0549 3 O 0.5021 -1.3733 -1.0431 O.3 1 UNK -0.3005 4 P 0.9716 -2.8079 -1.6029 P.3 1 UNK 0.3917 5 O1 -0.1739 -3.7448 -1.5815 O.2 1 UNK -0.2458 6 O2 1.5045 -2.6463 -3.1136 O.3 1 UNK -0.3005 7 C2 1.8801 -3.7578 -3.9294 C.3 1 UNK 0.0549 8 C3 2.1895 -3.2692 -5.3459 C.3 1 UNK -0.0410 9 S 2.5290 -3.5678 -0.3816 S.3 1 UNK -0.0318 10 C4 2.7909 -5.2357 -1.0450 C.3 1 UNK 0.0811 11 C5 3.7932 -5.9654 -0.1883 C.2 1 UNK 0.2246 12 O3 4.3524 -5.3853 0.7182 O.2 1 UNK -0.2749 13 N 4.0682 -7.2626 -0.4295 N.am 1 UNK -0.2971 14 C6 4.9569 -8.0025 0.4700 C.3 1 UNK 0.1156 15 C7 6.3407 -7.3498 0.4702 C.3 1 UNK -0.0306 16 C8 4.3819 -7.9795 1.8876 C.3 1 UNK -0.0306 17 C9 5.0716 -9.3959 0.0095 C.1 1 UNK 0.0878 18 N1 5.1602 -10.4713 -0.3458 N.1 1 UNK -0.1943 19 H 0.4893 0.8587 0.4130 H 1 UNK 0.0252 20 H1 -1.1104 0.6259 -0.3321 H 1 UNK 0.0252 21 H2 -0.9066 0.4123 1.4232 H 1 UNK 0.0252 22 H3 0.5588 -1.5458 1.0149 H 1 UNK 0.0562 23 H4 -1.0408 -1.7786 0.2698 H 1 UNK 0.0562 24 H5 2.7649 -4.2351 -3.5083 H 1 UNK 0.0562 25 H6 1.0612 -4.4764 -3.9638 H 1 UNK 0.0562 26 H7 2.3899 -4.1254 -5.9900 H 1 UNK 0.0252 27 H8 1.3350 -2.7148 -5.7338 H 1 UNK 0.0252 28 H9 3.0642 -2.6192 -5.3230 H 1 UNK 0.0252 29 H10 1.8465 -5.7800 -1.0429 H 1 UNK 0.0476 30 H11 3.1677 -5.1658 -2.0655 H 1 UNK 0.0476 31 H12 3.6776 -7.7063 -1.1986 H 1 UNK 0.1502 32 H13 6.2481 -6.3017 0.7548 H 1 UNK 0.0260 33 H14 6.9849 -7.8643 1.1832 H 1 UNK 0.0260 34 H15 6.7750 -7.4185 -0.5272 H 1 UNK 0.0260 35 H16 3.3961 -8.4444 1.8875 H 1 UNK 0.0260 36 H17 5.0432 -8.5300 2.5568 H 1 UNK 0.0260 37 H18 4.2970 -6.9477 2.2286 H 1 UNK 0.0260 @BOND 1 1 2 1 2 1 19 1 3 1 20 1 4 1 21 1 5 2 3 1 6 2 22 1 7 2 23 1 8 3 4 1 9 4 5 2 10 4 6 1 11 4 9 1 12 6 7 1 13 7 8 1 14 7 24 1 15 7 25 1 16 8 26 1 17 8 27 1 18 8 28 1 19 9 10 1 20 10 11 1 21 10 29 1 22 10 30 1 23 11 12 2 24 11 13 am 25 13 14 1 26 13 31 1 27 14 15 1 28 14 16 1 29 14 17 1 30 15 32 1 31 15 33 1 32 15 34 1 33 16 35 1 34 16 36 1 35 16 37 1 36 17 18 3