@MOLECULE FDBD02109 31 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.4193 -0.5169 -1.2495 C.3 1 UNK 0.0365 2 O -0.3713 -1.8836 -0.8350 O.3 1 UNK -0.3812 3 C1 -1.6405 -2.4218 -0.4587 C.3 1 UNK 0.0669 4 C2 -1.4700 -3.8822 -0.0355 C.3 1 UNK 0.0664 5 N -0.6578 -3.9461 1.1821 N.2 1 UNK -0.2518 6 C3 -1.1609 -4.4266 2.2688 C.2 1 UNK 0.1931 7 C4 -0.2920 -4.6048 3.4871 C.3 1 UNK 0.0777 8 S 1.3535 -3.9138 3.1624 S.3 1 UNK -0.0645 9 P 2.4442 -4.4415 4.9021 P.3 1 UNK 0.2291 10 S1 2.3017 -6.2769 5.1916 S.2 1 UNK 0.0032 11 O1 3.9928 -4.0480 4.7046 O.3 1 UNK -0.3267 12 C5 4.8864 -4.7957 3.8773 C.3 1 UNK 0.0441 13 O2 1.8469 -3.6501 6.1706 O.3 1 UNK -0.3267 14 C6 0.4463 -3.5476 6.4350 C.3 1 UNK 0.0441 15 O3 -2.4650 -4.7695 2.3144 O.2 1 UNK -0.4951 16 H 0.5646 -0.1895 -1.5135 H 1 UNK 0.0523 17 H1 -0.7928 0.0859 -0.4483 H 1 UNK 0.0523 18 H2 -1.0656 -0.4238 -2.0972 H 1 UNK 0.0523 19 H3 -2.3117 -2.3675 -1.2903 H 1 UNK 0.0578 20 H4 -2.0389 -1.8578 0.3587 H 1 UNK 0.0578 21 H5 -0.9831 -4.4258 -0.8180 H 1 UNK 0.0532 22 H6 -2.4309 -4.3133 0.1537 H 1 UNK 0.0532 23 H7 -0.2031 -5.6470 3.7124 H 1 UNK 0.0477 24 H8 -0.7346 -4.0967 4.3183 H 1 UNK 0.0477 25 H9 5.8568 -4.3455 3.9025 H 1 UNK 0.0528 26 H10 4.5215 -4.8005 2.8715 H 1 UNK 0.0528 27 H11 4.9500 -5.8009 4.2384 H 1 UNK 0.0528 28 H12 0.2926 -2.9777 7.3275 H 1 UNK 0.0528 29 H13 0.0347 -4.5271 6.5619 H 1 UNK 0.0528 30 H14 -0.0371 -3.0612 5.6136 H 1 UNK 0.0528 31 H15 -3.0053 -4.6587 1.5569 H 1 UNK 0.2934 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 6 7 1 7 6 15 1 8 7 8 1 9 8 9 1 10 9 10 2 11 9 11 1 12 9 13 1 13 11 12 1 14 13 14 1 15 1 16 1 16 1 17 1 17 1 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 7 23 1 23 7 24 1 24 12 25 1 25 12 26 1 26 12 27 1 27 14 28 1 28 14 29 1 29 14 30 1 30 15 31 1