@MOLECULE FDBF00303 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 O1 8.7870 0.0740 2.0030 O.3 1 FRG1 -0.3838 2 C2 8.5590 -0.3700 0.6600 C.3 1 FRG1 0.1410 3 O1 6.7310 1.1600 0.5510 O.3 1 FRG1 -0.4593 4 C2 7.8280 0.7200 -0.0760 C.2 1 FRG1 0.3331 5 O3 8.2130 1.1460 -1.1550 O.2 1 FRG1 -0.2482 6 N4 3.5250 0.7460 0.0650 N.4 1 FRG1 0.2477 7 C5 3.4830 2.1380 0.5490 C.3 1 FRG1 -0.0152 8 C6 2.7560 2.8960 -0.5790 C.3 1 FRG1 -0.0044 9 C7 3.0370 2.0660 -1.8440 C.3 1 FRG1 -0.0044 10 C8 3.9160 0.9010 -1.3490 C.3 1 FRG1 -0.0152 11 C9 5.3830 1.3650 -1.4920 C.3 1 FRG1 0.0278 12 C10 5.9590 2.0750 -0.2410 C.3 1 FRG1 0.1133 13 C11 4.8980 2.7510 0.6590 C.3 1 FRG1 0.0278 14 C12 4.4010 -0.1510 0.8410 C.3 1 FRG1 -0.0294 15 C13 3.8180 -1.5700 0.7320 C.3 1 FRG1 -0.0076 16 C14 2.3720 -1.3790 0.2470 C.3 1 FRG1 -0.0076 17 C15 2.1810 0.1440 0.1400 C.3 1 FRG1 -0.0294 18 H 9.2583 -0.6158 2.4960 H 1 FRG1 0.2101 19 H 9.4945 -0.5673 0.1797 H 1 FRG1 0.0674 20 H 7.9794 -1.2694 0.6607 H 1 FRG1 0.0674 21 H 3.0227 2.1924 1.5134 H 1 FRG1 0.0853 22 H 1.7049 2.9457 -0.3850 H 1 FRG1 0.0322 23 H 3.0929 3.9073 -0.6726 H 1 FRG1 0.0322 24 H 2.1250 1.6994 -2.2669 H 1 FRG1 0.0322 25 H 3.5135 2.6397 -2.6113 H 1 FRG1 0.0322 26 H 3.8054 -0.0225 -1.8779 H 1 FRG1 0.0853 27 H 5.4395 2.0441 -2.3170 H 1 FRG1 0.0356 28 H 5.9684 0.4809 -1.6358 H 1 FRG1 0.0356 29 H 6.5769 2.8578 -0.6287 H 1 FRG1 0.0738 30 H 4.8373 3.7840 0.3867 H 1 FRG1 0.0356 31 H 5.2167 2.6041 1.6698 H 1 FRG1 0.0356 32 H 4.4247 0.1570 1.8654 H 1 FRG1 0.0815 33 H 5.4013 -0.1232 0.4621 H 1 FRG1 0.0815 34 H 4.3758 -2.1511 0.0277 H 1 FRG1 0.0319 35 H 3.8598 -2.0910 1.6657 H 1 FRG1 0.0319 36 H 2.2317 -1.8428 -0.7070 H 1 FRG1 0.0319 37 H 1.6640 -1.8252 0.9137 H 1 FRG1 0.0319 38 H 1.6224 0.3827 -0.7408 H 1 FRG1 0.0815 39 H 1.6421 0.5202 0.9844 H 1 FRG1 0.0815 @BOND 1 9 10 1 2 9 8 1 3 11 10 1 4 11 12 1 5 10 6 1 6 5 4 2 7 8 7 1 8 12 3 1 9 12 13 1 10 4 3 1 11 4 2 1 12 6 17 1 13 6 7 1 14 6 14 1 15 17 16 1 16 16 15 1 17 7 13 1 18 2 1 1 19 15 14 1 20 1 18 1 21 2 19 1 22 2 20 1 23 7 21 1 24 8 22 1 25 8 23 1 26 9 24 1 27 9 25 1 28 10 26 1 29 11 27 1 30 11 28 1 31 12 29 1 32 13 30 1 33 13 31 1 34 14 32 1 35 14 33 1 36 15 34 1 37 15 35 1 38 16 36 1 39 16 37 1 40 17 38 1 41 17 39 1