REMARK Name = BDB031814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.914 1.876 -1.265 0.00 0.00 -0.006 A ATOM 2 C LIG 1 0.852 2.010 -0.355 0.00 0.00 +0.128 A ATOM 3 F LIG 1 1.114 2.423 0.895 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.474 1.725 -0.686 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.768 1.291 -1.990 0.00 0.00 +0.044 A ATOM 6 C LIG 1 0.273 1.212 -2.908 0.00 0.00 +0.068 A ATOM 7 N LIG 1 -0.317 0.831 -4.081 0.00 0.00 -0.275 N ATOM 8 H LIG 1 0.133 0.679 -4.976 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -1.646 0.667 -4.006 0.00 0.00 -0.157 NA ATOM 10 C LIG 1 -1.929 0.886 -2.717 0.00 0.00 +0.154 A ATOM 11 C LIG 1 1.607 1.492 -2.585 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 2.312 -1.869 1.496 0.00 0.00 +0.120 A ATOM 13 C LIG 1 2.667 -0.896 0.549 0.00 0.00 +0.052 A ATOM 14 C LIG 1 3.490 0.156 0.925 0.00 0.00 -0.007 A ATOM 15 C LIG 1 4.057 1.341 0.195 0.00 0.00 +0.081 C ATOM 16 C LIG 1 3.336 2.174 -0.846 0.00 0.00 +0.043 C ATOM 17 C LIG 1 4.915 2.033 1.231 0.00 0.00 +0.228 C ATOM 18 N LIG 1 4.793 1.313 2.406 0.00 0.00 -0.284 N ATOM 19 H LIG 1 5.268 1.574 3.255 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 5.587 3.032 1.038 0.00 0.00 -0.274 OA ATOM 21 C LIG 1 4.477 1.259 -1.244 0.00 0.00 +0.031 C ATOM 22 C LIG 1 3.960 0.204 2.245 0.00 0.00 +0.038 A ATOM 23 C LIG 1 3.634 -0.734 3.202 0.00 0.00 +0.027 A ATOM 24 C LIG 1 2.795 -1.783 2.815 0.00 0.00 +0.047 A BRANCH 12 26 ATOM 25 C LIG 1 1.110 -3.881 1.915 0.00 0.00 +0.277 C ATOM 26 O LIG 1 1.492 -2.853 1.012 0.00 0.00 -0.495 OA ENDBRANCH 12 26 ENDBRANCH 1 16 BRANCH 10 27 ATOM 27 N LIG 1 -3.188 0.785 -2.236 0.00 0.00 -0.279 N ATOM 28 H LIG 1 -3.879 0.579 -2.952 0.00 0.00 +0.155 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.607 0.165 -1.029 0.00 0.00 +0.170 A ATOM 30 C LIG 1 -4.967 0.186 -0.714 0.00 0.00 +0.178 A ATOM 31 C LIG 1 -5.306 -0.405 0.486 0.00 0.00 +0.162 A ATOM 32 N LIG 1 -4.418 -0.969 1.330 0.00 0.00 -0.237 NA ATOM 33 C LIG 1 -3.131 -0.930 0.947 0.00 0.00 +0.128 A ATOM 34 C LIG 1 -2.111 -1.565 1.838 0.00 0.00 +0.088 C ATOM 35 N LIG 1 -2.696 -0.391 -0.203 0.00 0.00 -0.214 NA BRANCH 30 36 ATOM 36 O LIG 1 -5.822 0.754 -1.617 0.00 0.00 -0.490 OA ATOM 37 C LIG 1 -7.187 0.856 -1.228 0.00 0.00 +0.277 C ENDBRANCH 30 36 ENDBRANCH 27 29 ENDBRANCH 10 27 TORSDOF 5