ATOM 1 HO1 ROH 1 -4.659 9.304 -1.213 1.00 0.00 H ATOM 2 O1 ROH 1 -4.675 9.482 -2.157 1.00 0.00 O ATOM 3 C1 3YB 2 -4.038 10.742 -2.342 1.00 0.00 C ATOM 4 H1 3YB 2 -2.983 10.567 -2.555 1.00 0.00 H ATOM 5 O5 3YB 2 -4.150 11.465 -1.070 1.00 0.00 O ATOM 6 C5 3YB 2 -3.511 12.815 -1.043 1.00 0.00 C ATOM 7 H5 3YB 2 -2.438 12.684 -1.204 1.00 0.00 H ATOM 8 C6 3YB 2 -3.729 13.451 0.343 1.00 0.00 C ATOM 9 H62 3YB 2 -4.793 13.600 0.525 1.00 0.00 H ATOM 10 H61 3YB 2 -3.231 14.420 0.403 1.00 0.00 H ATOM 11 O6 3YB 2 -3.196 12.589 1.364 1.00 0.00 O ATOM 12 H6O 3YB 2 -3.572 11.712 1.246 1.00 0.00 H ATOM 13 C4 3YB 2 -4.089 13.684 -2.182 1.00 0.00 C ATOM 14 H4 3YB 2 -5.123 13.949 -1.951 1.00 0.00 H ATOM 15 O4 3YB 2 -3.303 14.894 -2.255 1.00 0.00 O ATOM 16 H4O 3YB 2 -3.499 15.364 -3.087 1.00 0.00 H ATOM 17 C3 3YB 2 -4.046 12.975 -3.554 1.00 0.00 C ATOM 18 H3 3YB 2 -3.005 12.856 -3.863 1.00 0.00 H ATOM 19 H1M 3YB 2 -4.440 10.704 -7.536 1.00 0.00 H ATOM 20 C2 3YB 2 -4.693 11.572 -3.492 1.00 0.00 C ATOM 21 H2 3YB 2 -5.749 11.697 -3.245 1.00 0.00 H ATOM 22 N2 3YB 2 -4.577 10.896 -4.803 1.00 0.00 N ATOM 23 H2N 3YB 2 -3.702 10.469 -5.047 1.00 0.00 H ATOM 24 C2N 3YB 2 -5.574 10.870 -5.694 1.00 0.00 C ATOM 25 O2N 3YB 2 -6.679 11.352 -5.459 1.00 0.00 O ATOM 26 CME 3YB 2 -5.258 10.182 -7.037 1.00 0.00 C ATOM 27 H3M 3YB 2 -4.969 9.145 -6.863 1.00 0.00 H ATOM 28 H2M 3YB 2 -6.135 10.200 -7.685 1.00 0.00 H ATOM 29 O3 3YB 2 -4.774 13.793 -4.561 1.00 0.00 O ATOM 30 C1 0fA 3 -3.975 14.691 -5.416 1.00 0.00 C ATOM 31 H1 0fA 3 -2.990 14.251 -5.579 1.00 0.00 H ATOM 32 O5 0fA 3 -3.815 15.981 -4.708 1.00 0.00 O ATOM 33 C5 0fA 3 -5.055 16.798 -4.546 1.00 0.00 C ATOM 34 H5 0fA 3 -5.725 16.253 -3.880 1.00 0.00 H ATOM 35 C6 0fA 3 -4.668 18.097 -3.834 1.00 0.00 C ATOM 36 H61 0fA 3 -3.939 18.674 -4.405 1.00 0.00 H ATOM 37 H62 0fA 3 -4.227 17.893 -2.857 1.00 0.00 H ATOM 38 H63 0fA 3 -5.538 18.733 -3.669 1.00 0.00 H ATOM 39 C4 0fA 3 -5.797 16.980 -5.900 1.00 0.00 C ATOM 40 H4 0fA 3 -6.769 17.438 -5.712 1.00 0.00 H ATOM 41 O4 0fA 3 -5.040 17.863 -6.768 1.00 0.00 O ATOM 42 H4O 0fA 3 -5.438 17.840 -7.647 1.00 0.00 H ATOM 43 C3 0fA 3 -6.008 15.620 -6.613 1.00 0.00 C ATOM 44 H3 0fA 3 -6.657 14.996 -5.997 1.00 0.00 H ATOM 45 O3 0fA 3 -6.689 15.837 -7.891 1.00 0.00 O ATOM 46 H3O 0fA 3 -7.643 15.875 -7.753 1.00 0.00 H ATOM 47 C2 0fA 3 -4.649 14.902 -6.805 1.00 0.00 C ATOM 48 H2 0fA 3 -3.995 15.521 -7.422 1.00 0.00 H ATOM 49 O2 0fA 3 -4.839 13.633 -7.499 1.00 0.00 O ATOM 50 H2O 0fA 3 -5.471 13.799 -8.209 1.00 0.00 H TER 51 0fA 3 END