REMARK Name = BDB038450 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.892 -1.284 0.491 0.00 0.00 -0.248 N ATOM 2 C LIG 1 -0.035 -0.410 1.143 0.00 0.00 +0.253 C ATOM 3 O LIG 1 -0.264 0.616 1.756 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.322 -0.942 0.960 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.521 -0.433 1.422 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.697 -1.130 1.108 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.622 -2.317 0.339 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.392 -2.821 -0.129 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.244 -2.106 0.200 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.185 -2.381 -0.148 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.228 -2.115 -0.545 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -2.891 -2.142 -0.386 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -2.293 -1.206 0.388 0.00 0.00 +0.131 A ATOM 14 C LIG 1 -3.025 -0.219 1.034 0.00 0.00 +0.052 A ATOM 15 C LIG 1 -4.414 -0.180 0.884 0.00 0.00 -0.011 A ATOM 16 C LIG 1 -5.013 -1.161 0.090 0.00 0.00 +0.052 A BRANCH 15 17 ATOM 17 C LIG 1 -5.222 0.865 1.538 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -5.994 1.801 0.809 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -6.790 2.735 1.492 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -6.806 2.775 2.885 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.032 1.876 3.611 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -5.252 0.929 2.945 0.00 0.00 +0.009 A BRANCH 18 23 ATOM 23 C LIG 1 -5.998 1.838 -0.652 0.00 0.00 +0.164 A ATOM 24 N LIG 1 -4.959 2.248 -1.450 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -3.679 2.768 -1.052 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -5.383 2.101 -2.736 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -6.613 1.646 -2.744 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.006 1.494 -1.434 0.00 0.00 -0.129 NA ENDBRANCH 18 23 ENDBRANCH 15 17 BRANCH 11 29 ATOM 29 N LIG 1 -4.877 -3.091 -1.321 0.00 0.00 -0.329 N ATOM 30 H LIG 1 -5.545 -2.629 -1.935 0.00 0.00 +0.147 HD BRANCH 29 32 ATOM 31 C LIG 1 -4.819 -4.997 -2.824 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -3.988 -3.990 -2.046 0.00 0.00 +0.099 C ENDBRANCH 29 32 ENDBRANCH 11 29 ENDBRANCH 1 13 BRANCH 8 33 ATOM 33 C LIG 1 2.313 -4.079 -0.951 0.00 0.00 +0.418 C ATOM 34 F LIG 1 1.739 -3.864 -2.167 0.00 0.00 -0.166 F ATOM 35 F LIG 1 3.525 -4.644 -1.203 0.00 0.00 -0.166 F ATOM 36 F LIG 1 1.565 -5.043 -0.350 0.00 0.00 -0.166 F ENDBRANCH 8 33 BRANCH 6 37 ATOM 37 C LIG 1 5.037 -0.613 1.596 0.00 0.00 +0.119 C BRANCH 37 38 ATOM 38 N LIG 1 5.351 0.731 1.087 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 5.652 0.708 -0.359 0.00 0.00 +0.085 C ATOM 40 C LIG 1 5.956 2.112 -0.902 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.072 2.759 -0.115 0.00 0.00 -0.027 C ATOM 42 C LIG 1 8.492 2.655 -0.631 0.00 0.00 +0.007 C ATOM 43 C LIG 1 7.763 3.968 -0.704 0.00 0.00 +0.007 C ATOM 44 C LIG 1 6.828 2.724 1.375 0.00 0.00 +0.022 C ATOM 45 C LIG 1 6.493 1.298 1.834 0.00 0.00 +0.085 C ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 8