REMARK Name = BDB020478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.731 -2.316 0.753 0.00 0.00 +0.041 C ATOM 2 C LIG 1 -3.568 -2.410 -0.229 0.00 0.00 +0.171 C ATOM 3 N LIG 1 -2.495 -1.500 0.131 0.00 0.00 -0.317 N ATOM 4 C LIG 1 -1.441 -1.881 0.919 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.663 -0.750 1.034 0.00 0.00 +0.094 A ATOM 6 N LIG 1 -1.203 0.279 0.298 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -1.350 -3.262 1.423 0.00 0.00 +0.163 C ATOM 8 N LIG 1 -1.909 -4.168 0.426 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -1.492 -5.557 0.502 0.00 0.00 +0.132 C ATOM 10 C LIG 1 -2.308 -0.198 -0.238 0.00 0.00 +0.117 A ATOM 11 C LIG 1 -3.066 -3.856 -0.286 0.00 0.00 +0.238 C ATOM 12 O LIG 1 -3.700 -4.701 -0.922 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 0.569 -0.629 1.794 0.00 0.00 +0.011 A ATOM 14 C LIG 1 1.788 -0.219 1.183 0.00 0.00 +0.010 A ATOM 15 C LIG 1 2.953 -0.127 1.966 0.00 0.00 +0.072 A ATOM 16 N LIG 1 4.140 0.244 1.464 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 4.245 0.570 0.149 0.00 0.00 +0.083 A ATOM 18 C LIG 1 3.172 0.489 -0.729 0.00 0.00 +0.044 A ATOM 19 C LIG 1 2.884 -0.432 3.318 0.00 0.00 +0.028 A ATOM 20 C LIG 1 1.693 -0.823 3.927 0.00 0.00 +0.003 A ATOM 21 C LIG 1 1.937 0.100 -0.185 0.00 0.00 +0.022 A ATOM 22 C LIG 1 0.535 -0.919 3.166 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.585 0.984 -0.220 0.00 0.00 +0.038 A ATOM 24 C LIG 1 5.927 2.086 -0.976 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.292 2.106 -1.026 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.120 3.060 -1.722 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.870 1.120 -0.317 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.829 0.455 0.192 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 3.266 0.789 -2.193 0.00 0.00 +0.374 C ATOM 30 F LIG 1 4.365 0.264 -2.800 0.00 0.00 -0.204 F ATOM 31 F LIG 1 3.276 2.123 -2.466 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 32 ATOM 32 C LIG 1 -3.241 0.633 -1.168 0.00 0.00 +0.083 C ATOM 33 C LIG 1 -2.794 2.087 -1.454 0.00 0.00 +0.097 C ATOM 34 N LIG 1 -4.233 2.477 -1.364 0.00 0.00 -0.296 NA ATOM 35 C LIG 1 -4.438 1.308 -0.461 0.00 0.00 +0.097 C BRANCH 34 36 ATOM 36 C LIG 1 -4.368 3.742 -0.615 0.00 0.00 +0.156 C BRANCH 36 37 ATOM 37 C LIG 1 -5.824 4.133 -0.346 0.00 0.00 +0.355 C ATOM 38 F LIG 1 -6.379 3.290 0.564 0.00 0.00 -0.208 F ATOM 39 F LIG 1 -5.861 5.372 0.212 0.00 0.00 -0.208 F ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 10 32 TORSDOF 6