@MOLECULE FDBD01991 53 52 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.1472 1.5121 -0.0392 C.3 1 UNK -0.0558 2 C1 -0.1230 -0.0176 -0.0536 C.3 1 UNK -0.0016 3 S 0.7978 -0.5928 -1.5019 S.3 1 UNK -0.0839 4 C2 0.6704 -2.3353 -1.2732 C.2 1 UNK 0.2128 5 O 0.0682 -2.7809 -0.3132 O.2 1 UNK -0.2804 6 C3 1.2880 -3.2464 -2.2365 C.2 1 UNK -0.0053 7 C4 1.2970 -4.5768 -1.9985 C.2 1 UNK -0.0466 8 C5 0.8147 -5.1085 -0.6735 C.3 1 UNK -0.0396 9 C6 1.7750 -5.5011 -3.0276 C.2 1 UNK -0.0626 10 C7 1.7838 -6.8142 -2.7928 C.2 1 UNK -0.0835 11 C8 2.2761 -7.7659 -3.8524 C.3 1 UNK -0.0319 12 C9 3.3891 -8.6419 -3.2739 C.3 1 UNK -0.0404 13 C10 2.8163 -9.5296 -2.1672 C.3 1 UNK -0.0621 14 C11 3.9739 -9.5209 -4.3813 C.3 1 UNK -0.0501 15 C12 5.1676 -10.3053 -3.8329 C.3 1 UNK -0.0502 16 C13 5.7525 -11.1843 -4.9403 C.3 1 UNK -0.0243 17 C14 6.9462 -11.9686 -4.3919 C.3 1 UNK 0.0636 18 C15 7.6072 -12.7517 -5.5280 C.3 1 UNK -0.0361 19 C16 7.9600 -10.9964 -3.7854 C.3 1 UNK -0.0361 20 O1 6.4969 -12.8778 -3.3852 O.3 1 UNK -0.3771 21 C17 7.5396 -13.6637 -2.8046 C.3 1 UNK 0.0371 22 H -0.6915 1.8522 0.8169 H 1 UNK 0.0238 23 H1 -0.6220 1.8697 -0.9289 H 1 UNK 0.0238 24 H2 0.8550 1.8843 0.0044 H 1 UNK 0.0238 25 H3 -1.1252 -0.3898 -0.0972 H 1 UNK 0.0378 26 H4 0.3518 -0.3752 0.8361 H 1 UNK 0.0378 27 H5 1.7169 -2.8734 -3.0979 H 1 UNK 0.0664 28 H6 0.5065 -4.2932 -0.0529 H 1 UNK 0.0278 29 H7 1.6080 -5.6422 -0.1933 H 1 UNK 0.0278 30 H8 -0.0129 -5.7676 -0.8336 H 1 UNK 0.0278 31 H9 2.1053 -5.1370 -3.9350 H 1 UNK 0.0617 32 H10 1.4534 -7.1783 -1.8854 H 1 UNK 0.0572 33 H11 2.6560 -7.2090 -4.6833 H 1 UNK 0.0310 34 H12 1.4673 -8.3859 -4.1785 H 1 UNK 0.0310 35 H13 4.1591 -8.0190 -2.8689 H 1 UNK 0.0301 36 H14 2.0463 -10.1525 -2.5723 H 1 UNK 0.0233 37 H15 2.4073 -8.9149 -1.3928 H 1 UNK 0.0233 38 H16 3.5947 -10.1422 -1.7626 H 1 UNK 0.0233 39 H17 4.2956 -8.9038 -5.1940 H 1 UNK 0.0268 40 H18 3.2263 -10.2042 -4.7265 H 1 UNK 0.0268 41 H19 4.8458 -10.9225 -3.0202 H 1 UNK 0.0266 42 H20 5.9151 -9.6220 -3.4877 H 1 UNK 0.0266 43 H21 6.0742 -10.5672 -5.7530 H 1 UNK 0.0293 44 H22 5.0050 -11.8676 -5.2855 H 1 UNK 0.0293 45 H23 7.9436 -12.0709 -6.2818 H 1 UNK 0.0257 46 H24 6.8982 -13.4316 -5.9522 H 1 UNK 0.0257 47 H25 8.4420 -13.3002 -5.1445 H 1 UNK 0.0257 48 H26 8.2964 -10.3156 -4.5392 H 1 UNK 0.0257 49 H27 8.7949 -11.5449 -3.4019 H 1 UNK 0.0257 50 H28 7.4978 -10.4487 -2.9909 H 1 UNK 0.0257 51 H29 7.1249 -14.3154 -2.0642 H 1 UNK 0.0524 52 H30 8.2606 -13.0183 -2.3480 H 1 UNK 0.0524 53 H31 8.0140 -14.2458 -3.5668 H 1 UNK 0.0524 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 2 7 7 8 1 8 7 9 1 9 9 10 2 10 10 11 1 11 11 12 1 12 12 13 1 13 12 14 1 14 14 15 1 15 15 16 1 16 16 17 1 17 17 18 1 18 17 19 1 19 17 20 1 20 20 21 1 21 1 22 1 22 1 23 1 23 1 24 1 24 2 25 1 25 2 26 1 26 6 27 1 27 8 28 1 28 8 29 1 29 8 30 1 30 9 31 1 31 10 32 1 32 11 33 1 33 11 34 1 34 12 35 1 35 13 36 1 36 13 37 1 37 13 38 1 38 14 39 1 39 14 40 1 40 15 41 1 41 15 42 1 42 16 43 1 43 16 44 1 44 18 45 1 45 18 46 1 46 18 47 1 47 19 48 1 48 19 49 1 49 19 50 1 50 21 51 1 51 21 52 1 52 21 53 1