@MOLECULE FMN 53 55 0 0 0 SMALL NO_CHARGES @ATOM 1 N1 33.8640 7.2250 13.5830 N.am 1 FMN0 0.0000 2 C1 33.0310 6.3190 13.0620 C.2 1 FMN0 0.0000 3 O1 33.1850 5.1330 13.2150 O.2 1 FMN0 0.0000 4 N2 31.9740 6.7210 12.1760 N.am 1 FMN0 0.0000 5 C2 31.7880 8.0070 11.8260 C.2 1 FMN0 0.0000 6 O2 30.8990 8.3580 11.0370 O.2 1 FMN0 0.0000 7 C3 32.7360 8.9900 12.3570 C.ar 1 FMN0 0.0000 8 N3 32.5590 10.2790 12.1300 N.ar 1 FMN0 0.0000 9 C4 33.3450 11.1860 12.7220 C.ar 1 FMN0 0.0000 10 C5 33.1220 12.6070 12.4870 C.ar 1 FMN0 0.0000 11 C6 33.8140 13.5180 13.2260 C.ar 1 FMN0 0.0000 12 C7 33.4890 15.0180 13.1220 C.3 1 FMN0 0.0000 13 C8 34.8930 13.1170 14.0900 C.ar 1 FMN0 0.0000 14 C9 35.8120 14.1150 14.7780 C.3 1 FMN0 0.0000 15 C10 35.1530 11.7920 14.2730 C.ar 1 FMN0 0.0000 16 C11 34.3820 10.8090 13.6740 C.ar 1 FMN0 0.0000 17 N4 34.5570 9.4340 13.8830 N.ar 1 FMN0 0.0000 18 C12 33.7860 8.4950 13.2630 C.ar 1 FMN0 0.0000 19 C13 35.5540 8.9250 14.8610 C.3 1 FMN0 0.0000 20 C14 34.7890 8.5870 16.1570 C.3 1 FMN0 0.0000 21 O3 34.4170 9.8290 16.7940 O.3 1 FMN0 0.0000 22 C15 35.6810 7.8210 17.1500 C.3 1 FMN0 0.0000 23 O4 36.8490 8.6620 17.4880 O.3 1 FMN0 0.0000 24 C16 36.2120 6.5180 16.5910 C.3 1 FMN0 0.0000 25 O5 35.1490 5.8040 15.9090 O.3 1 FMN0 0.0000 26 C17 36.7120 5.6340 17.7210 C.3 1 FMN0 0.0000 27 O6 35.6040 5.2520 18.5790 O.3 1 FMN0 0.0000 28 P1 35.8370 4.6280 20.0380 P.3 1 FMN0 0.0000 29 O7 36.5850 5.6920 20.8020 O.2 1 FMN0 0.0000 30 O8 36.6820 3.3640 19.8470 O.3 1 FMN0 0.0000 31 O9 34.4360 4.3060 20.5540 O.3 1 FMN0 0.0000 32 H1 31.3170 6.0540 11.7720 H 1 FMN0 0.0000 33 H2 32.4160 13.0000 11.7360 H 1 FMN0 0.0000 34 H3 34.0560 15.7640 13.7270 H 1 FMN0 0.0000 35 H4 33.5550 15.3160 12.0500 H 1 FMN0 0.0000 36 H5 32.4020 15.1550 13.3280 H 1 FMN0 0.0000 37 H6 36.6480 13.8040 15.4470 H 1 FMN0 0.0000 38 H7 36.2430 14.7730 13.9880 H 1 FMN0 0.0000 39 H8 35.1690 14.8220 15.3520 H 1 FMN0 0.0000 40 H9 36.0030 11.5100 14.9170 H 1 FMN0 0.0000 41 H10 36.1510 8.0690 14.4700 H 1 FMN0 0.0000 42 H11 36.4030 9.6290 15.0260 H 1 FMN0 0.0000 43 H12 33.9060 7.9600 15.8920 H 1 FMN0 0.0000 44 H13 33.9460 9.6210 17.5920 H 1 FMN0 0.0000 45 H14 35.0470 7.5880 18.0370 H 1 FMN0 0.0000 46 H15 37.4000 8.1890 18.1010 H 1 FMN0 0.0000 47 H16 37.0420 6.7530 15.8840 H 1 FMN0 0.0000 48 H17 35.4820 4.9860 15.5580 H 1 FMN0 0.0000 49 H18 37.2720 4.7480 17.3420 H 1 FMN0 0.0000 50 H19 37.5380 6.1150 18.2940 H 1 FMN0 0.0000 51 H20 36.8200 2.9940 20.7110 H 1 FMN0 0.0000 52 H21 34.5740 3.9360 21.4180 H 1 FMN0 0.0000 @BOND 1 1 2 am 2 1 18 1 3 2 3 2 4 2 4 am 5 4 5 am 6 4 32 1 7 5 6 2 8 5 7 1 9 7 8 ar 10 7 18 ar 11 8 9 ar 12 9 10 ar 13 9 16 ar 14 10 11 ar 15 10 33 1 16 11 12 1 17 11 13 ar 18 12 34 1 19 12 35 1 20 12 36 1 21 13 14 1 22 13 15 ar 23 14 37 1 24 14 38 1 25 14 39 1 26 15 16 ar 27 15 40 1 28 16 17 ar 29 17 18 ar 30 17 19 1 31 19 20 1 32 19 41 1 33 19 42 1 34 20 21 1 35 20 22 1 36 20 43 1 37 21 44 1 38 22 23 1 39 22 24 1 40 22 45 1 41 23 46 1 42 24 25 1 43 24 26 1 44 24 47 1 45 25 48 1 46 26 27 1 47 26 49 1 48 26 50 1 49 27 28 1 50 28 29 2 51 28 30 1 52 28 31 1 53 30 51 1 54 31 52 1 @SUBSTRUCTURE 1 FMN 1 TEMP 0 **** **** 0 ROOT