0 0 2 This is a remark line CRA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000 3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000 4 P p4 M 3 2 1 1.540 111.208 -180.000 0.00000 5 O1P o E 4 3 2 1.480 75.079 155.012 0.00000 6 O2P o E 4 3 2 1.481 124.705 41.970 0.00000 7 O5* os M 4 3 2 1.600 115.159 -104.603 0.00000 8 C5* c3 M 7 4 3 1.440 119.000 -5.476 0.00000 9 H5*1 h1 E 8 7 4 1.090 109.467 60.055 0.00000 10 H5*2 h1 E 8 7 4 1.090 109.498 -59.942 0.00000 11 C4* c3 M 8 7 4 1.520 110.016 -179.970 0.00000 12 H4* h1 E 11 8 7 1.090 109.517 160.052 0.00000 13 O4* os S 11 8 7 1.460 108.857 -86.277 0.00000 14 C1* c3 3 13 11 8 1.420 110.051 105.634 0.00000 15 H1* h2 E 14 13 11 1.089 109.542 120.005 0.00000 16 N9 na S 14 13 11 1.520 109.557 -127.704 0.00000 17 C8 cc B 16 14 13 1.370 131.184 81.583 0.00000 18 H8 h5 E 17 16 14 1.080 120.043 -0.063 0.00000 19 N7 nd S 17 16 14 1.300 113.911 176.991 0.00000 20 C5 ca S 19 17 16 1.390 103.994 -0.007 0.00000 21 C6 ca B 20 19 17 1.400 132.412 -179.981 0.00000 22 N6 nh B 21 20 19 1.340 123.511 -0.010 0.00000 23 H61 hn E 22 21 20 1.011 120.011 -179.991 0.00000 24 H62 hn E 22 21 20 1.010 120.019 -0.005 0.00000 25 N1 nb S 21 20 19 1.340 117.419 -179.999 0.00000 26 C2 ca B 25 21 20 1.330 118.815 -0.033 0.00000 27 H2 h5 E 26 25 21 1.080 120.024 179.999 0.00000 28 N3 nb S 26 25 21 1.319 129.178 0.023 0.00000 29 C4 ca E 28 26 25 1.350 110.822 0.004 0.00000 30 C2* c3 B 14 13 11 1.530 107.759 -4.016 0.00000 31 H2*1 h1 E 30 14 13 1.090 139.952 -116.746 0.00000 32 O2* oh S 30 14 13 1.431 81.577 132.994 0.00000 33 HO*2 ho E 32 30 14 0.960 107.002 80.252 0.00000 34 C3* c3 M 11 8 7 1.531 115.780 30.910 0.00000 35 H3* h1 E 34 11 8 1.090 109.467 29.977 0.00000 36 O3* o M 34 11 8 1.420 116.509 156.518 0.00000 LOOP C4 N9 C4 C5 C3* C2* IMPROPER C1* C4 N9 C8 H8 N9 C8 N7 C6 C4 C5 N7 C5 N1 C6 N6 C6 H61 N6 H62 H2 N1 C2 N3 C5 N9 C4 N3 DONE STOP