@MOLECULE FMN 50 52 1 0 0 SMALL bcc @ATOM 1 P -3.2860 29.1840 12.7530 p5 1 FMN 1.3437 2 O1P -3.3950 28.3230 14.1410 o 1 FMN -0.9216 3 O2P -1.8390 28.9210 11.9790 o 1 FMN -0.9360 4 O3P -4.4620 28.8110 11.6560 o 1 FMN -0.9109 5 C5* -4.4460 31.3450 13.8540 c3 1 FMN 0.1855 6 O5* -3.3550 30.8060 13.1290 os 1 FMN -0.5892 7 C4* -4.3950 32.7710 13.6940 c3 1 FMN 0.0709 8 O4* -4.5420 33.1080 12.2990 oh 1 FMN -0.6320 9 C3* -5.3640 33.5360 14.5090 c3 1 FMN 0.1202 10 O3* -6.7240 33.2100 14.2130 oh 1 FMN -0.6653 11 C2* -5.2800 33.4140 16.0590 c3 1 FMN 0.0960 12 O2* -3.8860 33.3330 16.4250 oh 1 FMN -0.6487 13 C1* -5.9400 34.6690 16.6340 c3 1 FMN 0.1741 14 N1 -4.1730 36.0330 18.1050 nc 1 FMN -0.7332 15 C2 -3.2070 36.7300 18.7860 c 1 FMN 0.8554 16 O2 -2.3310 37.5480 18.1550 o 1 FMN -0.6562 17 N3 -3.1450 36.6650 20.1800 n 1 FMN -0.6244 18 C4 -4.0210 35.8770 20.9110 c 1 FMN 0.6394 19 C4A -5.0110 35.1250 20.1850 cd 1 FMN 0.1845 20 O4 -3.8970 35.8020 22.2730 o 1 FMN -0.6364 21 C5A -6.9040 33.7070 20.1760 ca 1 FMN 0.0061 22 N5 -5.8680 34.3300 20.8910 ne 1 FMN -0.4187 23 C6 -7.8660 33.0010 20.9310 ca 1 FMN -0.0535 24 C7 -8.8960 32.4110 20.1870 ca 1 FMN -0.1167 25 C7M -9.9010 31.6940 20.9100 c3 1 FMN -0.0439 26 C8 -8.9730 32.5190 18.7960 ca 1 FMN 0.0811 27 C8M -10.0440 31.9090 18.0560 c3 1 FMN -0.1362 28 C9 -7.9940 33.2200 18.0590 ca 1 FMN -0.1776 29 C9A -6.9240 33.8210 18.7690 ca 1 FMN 0.1985 30 C10 -5.0500 35.2270 18.7750 cd 1 FMN 0.6387 31 N10 -5.9770 34.5230 18.0330 nh 1 FMN -0.5101 32 H3 -2.4450 37.2000 20.6730 hn 1 FMN 0.3224 33 H6 -7.8070 32.9230 22.0120 ha 1 FMN 0.1343 34 H9 -8.0660 33.3000 16.9850 ha 1 FMN 0.1811 35 H2* -5.8100 32.5220 16.3840 h1 1 FMN 0.1575 36 H3* -5.2280 34.6020 14.2680 h1 1 FMN 0.0412 37 H4* -3.4090 33.0950 14.0150 h1 1 FMN 0.0932 38 H1*1 -5.3660 35.5610 16.3770 h1 1 FMN 0.0976 39 H1*2 -6.9550 34.7750 16.2490 h1 1 FMN 0.0614 40 H2*1 -3.8170 33.1970 17.3840 ho 1 FMN 0.4838 41 H3*1 -6.8720 33.2650 13.2640 ho 1 FMN 0.4473 42 H4*1 -4.9550 33.9610 12.2120 ho 1 FMN 0.3829 43 H5*1 -5.3940 30.9650 13.4530 h1 1 FMN 0.0635 44 H5*2 -4.3640 31.0830 14.9110 h1 1 FMN -0.0399 45 H7M1 -9.6860 31.7130 21.9660 hc 1 FMN 0.0204 46 H7M2 -10.8810 32.1460 20.7350 hc 1 FMN 0.0226 47 H7M3 -9.9220 30.6580 20.5650 hc 1 FMN 0.0754 48 H8M1 -10.8460 32.6300 17.9090 hc 1 FMN 0.0123 49 H8M2 -9.6720 31.5790 17.0840 hc 1 FMN 0.0392 50 H8M3 -10.4250 31.0460 18.6160 hc 1 FMN 0.2202 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 6 1 5 5 6 1 6 5 7 1 7 5 43 1 8 5 44 1 9 7 8 1 10 7 9 1 11 7 37 1 12 8 42 1 13 9 10 1 14 9 11 1 15 9 36 1 16 10 41 1 17 11 12 1 18 11 13 1 19 11 35 1 20 12 40 1 21 13 31 1 22 13 38 1 23 13 39 1 24 14 15 1 25 14 30 2 26 15 16 2 27 15 17 am 28 17 18 am 29 17 32 1 30 18 19 1 31 18 20 2 32 19 22 2 33 19 30 1 34 21 22 1 35 21 23 ar 36 21 29 ar 37 23 24 ar 38 23 33 1 39 24 25 1 40 24 26 ar 41 25 45 1 42 25 46 1 43 25 47 1 44 26 27 1 45 26 28 ar 46 27 48 1 47 27 49 1 48 27 50 1 49 28 29 ar 50 28 34 1 51 29 31 1 52 30 31 1 @SUBSTRUCTURE 1 FMN 1 TEMP 0 **** **** 0 ROOT