@MOLECULE FDBF00402 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 N1 -1.7690 0.7780 0.8070 N.4 1 FRG1 0.2359 2 C2 -2.1420 2.1920 0.6450 C.3 1 FRG1 -0.0298 3 C3 -3.2810 2.6510 1.5730 C.3 1 FRG1 0.0022 4 C4 -4.5320 1.7710 1.3930 C.3 1 FRG1 -0.0278 5 C5 -4.1590 0.2810 1.4950 C.3 1 FRG1 0.0022 6 C6 -2.9150 -0.1330 0.6940 C.3 1 FRG1 0.0552 7 C10 -5.2990 2.0980 0.1010 C.3 1 FRG1 -0.0496 8 C11 -5.6380 3.5820 0.0060 C.3 1 FRG1 -0.0528 9 C12 -4.3850 4.4440 0.1110 C.3 1 FRG1 -0.0526 10 C13 -3.6080 4.1420 1.3890 C.3 1 FRG1 -0.0451 11 O1 -2.6020 0.2990 -1.6350 O.2 1 FRG1 -0.2696 12 C2 -3.2150 -0.3160 -0.7650 C.2 1 FRG1 0.2616 13 N3 -4.2450 -1.2150 -0.9800 N.am 1 FRG1 -0.3059 14 C1 -4.7410 -1.5490 -2.2960 C.3 1 FRG1 0.0264 15 C3 -5.8770 -2.5700 -2.1650 C.3 1 FRG1 -0.0442 16 C7 -5.2620 -0.2770 -2.9730 C.3 1 FRG1 -0.0442 17 C11 -3.6030 -2.1510 -3.1280 C.3 1 FRG1 -0.0442 18 H -1.3464 0.6565 1.7274 H 1 FRG1 0.2021 19 H -1.1187 0.5456 0.0564 H 1 FRG1 0.2021 20 H -2.4517 2.3441 -0.3679 H 1 FRG1 0.0817 21 H -1.2801 2.7705 0.9045 H 1 FRG1 0.0817 22 H -2.9392 2.5309 2.5798 H 1 FRG1 0.0355 23 H -5.2078 1.9946 2.1919 H 1 FRG1 0.0307 24 H -3.9815 0.0530 2.5252 H 1 FRG1 0.0328 25 H -4.9796 -0.2622 1.0750 H 1 FRG1 0.0328 26 H -2.6378 -1.0622 1.1464 H 1 FRG1 0.0949 27 H -4.6948 1.8259 -0.7391 H 1 FRG1 0.0268 28 H -6.2158 1.5464 0.1089 H 1 FRG1 0.0268 29 H -6.3054 3.8387 0.8019 H 1 FRG1 0.0265 30 H -6.0946 3.7640 -0.9444 H 1 FRG1 0.0265 31 H -4.6708 5.4751 0.1126 H 1 FRG1 0.0265 32 H -3.7549 4.2263 -0.7260 H 1 FRG1 0.0265 33 H -4.1926 4.4657 2.2247 H 1 FRG1 0.0270 34 H -2.6751 4.6614 1.3191 H 1 FRG1 0.0270 35 H -4.6598 -1.6478 -0.1991 H 1 FRG1 0.1494 36 H -6.2464 -2.8193 -3.1378 H 1 FRG1 0.0250 37 H -6.6683 -2.1500 -1.5799 H 1 FRG1 0.0250 38 H -5.5092 -3.4533 -1.6859 H 1 FRG1 0.0250 39 H -5.6308 -0.5175 -3.9482 H 1 FRG1 0.0250 40 H -4.4664 0.4334 -3.0578 H 1 FRG1 0.0250 41 H -6.0526 0.1413 -2.3858 H 1 FRG1 0.0250 42 H -3.9669 -2.3994 -4.1031 H 1 FRG1 0.0250 43 H -3.2387 -3.0348 -2.6474 H 1 FRG1 0.0250 44 H -2.8090 -1.4389 -3.2143 H 1 FRG1 0.0250 @BOND 1 17 14 1 2 16 14 1 3 14 15 1 4 14 13 1 5 11 12 2 6 13 12 am 7 12 6 1 8 8 7 1 9 8 9 1 10 7 4 1 11 9 10 1 12 2 1 1 13 2 3 1 14 6 1 1 15 6 5 1 16 10 3 1 17 4 5 1 18 4 3 1 19 1 18 1 20 1 19 1 21 2 20 1 22 2 21 1 23 3 22 1 24 4 23 1 25 5 24 1 26 5 25 1 27 6 26 1 28 7 27 1 29 7 28 1 30 8 29 1 31 8 30 1 32 9 31 1 33 9 32 1 34 10 33 1 35 10 34 1 36 13 35 1 37 15 36 1 38 15 37 1 39 15 38 1 40 16 39 1 41 16 40 1 42 16 41 1 43 17 42 1 44 17 43 1 45 17 44 1