REMARK Name = BDB020573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.740 -1.814 -1.184 0.00 0.00 +0.041 C ATOM 2 C LIG 1 -3.508 -1.199 -1.844 0.00 0.00 +0.171 C ATOM 3 N LIG 1 -2.497 -0.846 -0.858 0.00 0.00 -0.317 N ATOM 4 C LIG 1 -1.541 -1.773 -0.495 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.786 -1.157 0.471 0.00 0.00 +0.094 A ATOM 6 N LIG 1 -1.234 0.116 0.670 0.00 0.00 -0.231 NA ATOM 7 C LIG 1 -1.492 -3.106 -1.126 0.00 0.00 +0.163 C ATOM 8 N LIG 1 -1.889 -2.981 -2.518 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -1.448 -4.025 -3.425 0.00 0.00 +0.132 C ATOM 10 C LIG 1 -2.271 0.311 -0.137 0.00 0.00 +0.117 A ATOM 11 C LIG 1 -2.962 -2.179 -2.888 0.00 0.00 +0.238 C ATOM 12 O LIG 1 -3.496 -2.256 -3.997 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 0.344 -1.727 1.182 0.00 0.00 +0.011 A ATOM 14 C LIG 1 1.627 -1.107 1.162 0.00 0.00 +0.010 A ATOM 15 C LIG 1 2.691 -1.706 1.859 0.00 0.00 +0.072 A ATOM 16 N LIG 1 3.929 -1.188 1.883 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 4.186 -0.025 1.229 0.00 0.00 +0.083 A ATOM 18 C LIG 1 3.224 0.642 0.483 0.00 0.00 +0.044 A ATOM 19 C LIG 1 2.464 -2.883 2.557 0.00 0.00 +0.028 A ATOM 20 C LIG 1 1.209 -3.490 2.593 0.00 0.00 +0.003 A ATOM 21 C LIG 1 1.934 0.086 0.471 0.00 0.00 +0.022 A ATOM 22 C LIG 1 0.149 -2.911 1.908 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.559 0.415 1.387 0.00 0.00 +0.038 A ATOM 24 C LIG 1 5.985 1.689 1.700 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.346 1.625 1.791 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.247 2.714 2.076 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.840 0.388 1.604 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.748 -0.350 1.384 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 3.486 1.897 -0.291 0.00 0.00 +0.374 C ATOM 30 F LIG 1 3.527 3.010 0.492 0.00 0.00 -0.204 F ATOM 31 F LIG 1 4.649 1.882 -0.999 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 32 ATOM 32 C LIG 1 -2.992 1.667 -0.147 0.00 0.00 +0.030 C ATOM 33 C LIG 1 -3.511 1.925 1.294 0.00 0.00 +0.042 C ATOM 34 C LIG 1 -4.372 3.176 1.401 0.00 0.00 +0.161 C ATOM 35 O LIG 1 -5.453 3.124 0.474 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -4.999 3.075 -0.874 0.00 0.00 +0.161 C ATOM 37 C LIG 1 -4.180 1.809 -1.115 0.00 0.00 +0.042 C ATOM 38 C LIG 1 -1.919 2.728 -0.516 0.00 0.00 +0.019 C ENDBRANCH 10 32 TORSDOF 4