@MOLECULE FMN 52 54 1 0 0 SMALL bcc @ATOM 1 N1 33.8640 7.2250 13.5830 nc 1 FMN -0.7285 2 C1 33.0310 6.3190 13.0620 c 1 FMN 0.8536 3 O1 33.1850 5.1330 13.2150 o 1 FMN -0.6016 4 N2 31.9740 6.7210 12.1760 n 1 FMN -0.6144 5 C2 31.7880 8.0070 11.8260 c 1 FMN 0.6313 6 O2 30.8990 8.3580 11.0370 o 1 FMN -0.5716 7 C3 32.7360 8.9900 12.3570 cd 1 FMN -0.0536 8 N3 32.5590 10.2790 12.1300 n2 1 FMN 0.0140 9 C4 33.3450 11.1860 12.7220 ca 1 FMN -0.1090 10 C5 33.1220 12.6070 12.4870 ca 1 FMN -0.0415 11 C6 33.8140 13.5180 13.2260 ca 1 FMN -0.1082 12 C7 33.4890 15.0180 13.1220 c3 1 FMN -0.0523 13 C8 34.8930 13.1170 14.0900 ca 1 FMN -0.0099 14 C9 35.8120 14.1150 14.7780 c3 1 FMN -0.0651 15 C10 35.1530 11.7920 14.2730 ca 1 FMN -0.1664 16 C11 34.3820 10.8090 13.6740 ca 1 FMN 0.0880 17 N4 34.5570 9.4340 13.8830 nh 1 FMN -0.3252 18 C12 33.7860 8.4950 13.2630 cd 1 FMN 0.4651 19 C13 35.5540 8.9250 14.8610 c3 1 FMN 0.2158 20 C14 34.7890 8.5870 16.1570 c3 1 FMN 0.1234 21 O3 34.4170 9.8290 16.7940 oh 1 FMN -0.6089 22 C15 35.6810 7.8210 17.1500 c3 1 FMN 0.1262 23 O4 36.8490 8.6620 17.4880 oh 1 FMN -0.6124 24 C16 36.2120 6.5180 16.5910 c3 1 FMN 0.0794 25 O5 35.1490 5.8040 15.9090 oh 1 FMN -0.6109 26 C17 36.7120 5.6340 17.7210 c3 1 FMN 0.1424 27 O6 35.6040 5.2520 18.5790 os 1 FMN -0.6058 28 P1 35.8370 4.6280 20.0380 p5 1 FMN 1.6606 29 O7 36.5850 5.6920 20.8020 o 1 FMN -0.8106 30 O8 36.6820 3.3640 19.8470 oh 1 FMN -0.7458 31 O9 34.4360 4.3060 20.5540 oh 1 FMN -0.7836 32 H1 31.3170 6.0540 11.7720 hn 1 FMN 0.3480 33 H2 32.4160 13.0000 11.7360 ha 1 FMN 0.1617 34 H3 34.0560 15.7640 13.7270 hc 1 FMN 0.0492 35 H4 33.5550 15.3160 12.0500 hc 1 FMN 0.0497 36 H5 32.4020 15.1550 13.3280 hc 1 FMN 0.0489 37 H6 36.6480 13.8040 15.4470 hc 1 FMN 0.0545 38 H7 36.2430 14.7730 13.9880 hc 1 FMN 0.0551 39 H8 35.1690 14.8220 15.3520 hc 1 FMN 0.0563 40 H9 36.0030 11.5100 14.9170 ha 1 FMN 0.1752 41 H10 36.1510 8.0690 14.4700 h1 1 FMN 0.1016 42 H11 36.4030 9.6290 15.0260 h1 1 FMN 0.0941 43 H12 33.9060 7.9600 15.8920 h1 1 FMN 0.0734 44 H13 33.9460 9.6210 17.5920 ho 1 FMN 0.4104 45 H14 35.0470 7.5880 18.0370 h1 1 FMN 0.0587 46 H15 37.4000 8.1890 18.1010 ho 1 FMN 0.4489 47 H16 37.0420 6.7530 15.8840 h1 1 FMN 0.0892 48 H17 35.4820 4.9860 15.5580 ho 1 FMN 0.4223 49 H18 37.2720 4.7480 17.3420 h1 1 FMN 0.0725 50 H19 37.5380 6.1150 18.2940 h1 1 FMN 0.0681 51 H20 36.8200 2.9940 20.7110 ho 1 FMN 0.4915 52 H21 34.5740 3.9360 21.4180 ho 1 FMN 0.4962 @BOND 1 1 2 1 2 1 18 2 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 2 10 7 18 1 11 8 9 1 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 1 29 17 18 1 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