@MOLECULE 283_1_2OI0 37 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C1 48.5850 23.9670 3.0390 C.3 1 <0> -0.0025 2 C2 46.0850 28.4790 2.5260 C.ar 1 <0> -0.0298 3 C3 44.3110 28.1830 4.1440 C.ar 1 <0> -0.0298 4 C4 45.1140 28.8150 1.5370 C.ar 1 <0> -0.0326 5 C5 43.3680 28.5170 3.1750 C.ar 1 <0> -0.0326 6 C6 40.2900 31.9010 1.7620 C.3 1 <0> -0.0227 7 C7 40.8840 31.5860 0.4110 C.3 1 <0> 0.0307 8 C8 42.4910 31.6260 2.0950 C.3 1 <0> 0.0412 9 C9 47.9140 27.7740 4.7600 C.3 1 <0> 0.1148 10 C10 48.4120 25.3010 3.6900 C.1 1 <0> -0.1033 11 C11 48.2690 26.3640 4.1920 C.1 1 <0> -0.0737 12 C12 45.6660 28.1620 3.8390 C.ar 1 <0> 0.0775 13 C13 43.7530 28.8330 1.8840 C.ar 1 <0> 0.1085 14 C14 41.2000 31.4320 2.8880 C.3 1 <0> 0.0208 15 N1 42.2240 31.0160 0.7550 N.pl3 1 <0> -0.2330 16 O1 42.9950 28.7670 -0.4940 O.2 1 <0> -0.1501 17 O2 41.1530 28.7870 1.1990 O.2 1 <0> -0.1501 18 O3 46.4720 27.8170 4.9230 O.3 1 <0> -0.3322 19 S1 41.1580 31.9760 4.5860 S.3 1 <0> -0.1732 20 S2 42.4650 29.2650 0.7610 S.o2 1 <0> 0.0706 21 H1 49.0066 23.2561 3.7649 H 1 <0> 0.0362 22 H2 47.6083 23.5996 2.6910 H 1 <0> 0.0362 23 H3 49.2674 24.0633 2.1816 H 1 <0> 0.0362 24 H4 47.1350 28.4667 2.2735 H 1 <0> 0.0644 25 H5 43.9850 27.9375 5.1439 H 1 <0> 0.0644 26 H6 45.4225 29.0536 0.5299 H 1 <0> 0.0638 27 H7 42.3199 28.5296 3.4353 H 1 <0> 0.0638 28 H8 40.1525 32.9892 1.8454 H 1 <0> 0.0292 29 H9 39.3200 31.3902 1.8522 H 1 <0> 0.0292 30 H10 40.2670 30.8654 -0.1458 H 1 <0> 0.0478 31 H11 40.9742 32.4873 -0.2131 H 1 <0> 0.0478 32 H12 42.7359 32.6940 1.9986 H 1 <0> 0.0489 33 H13 43.3360 31.1273 2.5922 H 1 <0> 0.0489 34 H14 48.4120 27.9315 5.7281 H 1 <0> 0.0702 35 H15 48.2426 28.5594 4.0635 H 1 <0> 0.0702 36 H16 40.9043 30.4533 3.2939 H 1 <0> 0.0426 37 H17 42.1211 31.2821 5.1160 H 1 <0> 0.1020 @BOND 1 1 10 1 2 2 4 ar 3 2 12 ar 4 3 5 ar 5 3 12 ar 6 4 13 ar 7 5 13 ar 8 6 7 1 9 6 14 1 10 7 15 1 11 8 14 1 12 8 15 1 13 9 11 1 14 9 18 1 15 10 11 3 16 12 18 1 17 13 20 1 18 14 19 1 19 15 20 1 20 16 20 2 21 17 20 2 22 1 21 1 23 1 22 1 24 1 23 1 25 2 24 1 26 3 25 1 27 4 26 1 28 5 27 1 29 6 28 1 30 6 29 1 31 7 30 1 32 7 31 1 33 8 32 1 34 8 33 1 35 9 34 1 36 9 35 1 37 14 36 1 38 19 37 1