REMARK Name = BDB020518 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.913 -1.546 -0.294 0.00 0.00 +0.174 C ATOM 2 N LIG 1 -2.772 -0.745 0.113 0.00 0.00 -0.317 N ATOM 3 C LIG 1 -1.793 -1.219 0.945 0.00 0.00 +0.064 A ATOM 4 C LIG 1 -0.907 -0.174 1.080 0.00 0.00 +0.094 A ATOM 5 N LIG 1 -1.311 0.896 0.325 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 -1.845 -2.590 1.478 0.00 0.00 +0.163 C ATOM 7 N LIG 1 -2.512 -3.462 0.522 0.00 0.00 -0.297 N ATOM 8 C LIG 1 -2.297 -4.888 0.695 0.00 0.00 +0.132 C ATOM 9 C LIG 1 -2.427 0.528 -0.275 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -3.644 -3.050 -0.176 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -4.422 -3.853 -0.699 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 0.308 -0.175 1.870 0.00 0.00 +0.011 A ATOM 13 C LIG 1 1.585 0.009 1.268 0.00 0.00 +0.010 A ATOM 14 C LIG 1 2.734 0.004 2.081 0.00 0.00 +0.072 A ATOM 15 N LIG 1 3.974 0.162 1.591 0.00 0.00 -0.246 NA ATOM 16 C LIG 1 4.147 0.326 0.254 0.00 0.00 +0.083 A ATOM 17 C LIG 1 3.088 0.367 -0.644 0.00 0.00 +0.044 A ATOM 18 C LIG 1 2.592 -0.177 3.449 0.00 0.00 +0.028 A ATOM 19 C LIG 1 1.343 -0.351 4.046 0.00 0.00 +0.003 A ATOM 20 C LIG 1 1.802 0.195 -0.115 0.00 0.00 +0.022 A ATOM 21 C LIG 1 0.201 -0.349 3.257 0.00 0.00 +0.011 A BRANCH 16 22 ATOM 22 C LIG 1 5.533 0.482 -0.143 0.00 0.00 +0.038 A ATOM 23 C LIG 1 6.424 1.329 0.486 0.00 0.00 +0.118 A ATOM 24 N LIG 1 7.615 1.178 -0.158 0.00 0.00 -0.274 N ATOM 25 C LIG 1 8.857 1.847 0.143 0.00 0.00 +0.172 C ATOM 26 N LIG 1 7.567 0.295 -1.173 0.00 0.00 -0.179 NA ATOM 27 C LIG 1 6.308 -0.152 -1.139 0.00 0.00 +0.144 A ENDBRANCH 16 22 BRANCH 17 28 ATOM 28 C LIG 1 3.277 0.592 -2.112 0.00 0.00 +0.374 C ATOM 29 F LIG 1 3.784 -0.504 -2.743 0.00 0.00 -0.204 F ATOM 30 F LIG 1 2.112 0.871 -2.768 0.00 0.00 -0.204 F ENDBRANCH 17 28 ENDBRANCH 4 12 BRANCH 9 31 ATOM 31 C LIG 1 -3.187 1.371 -1.262 0.00 0.00 +0.060 C ATOM 32 C LIG 1 -2.462 1.366 -2.618 0.00 0.00 +0.039 C ATOM 33 C LIG 1 -2.805 2.620 -3.408 0.00 0.00 +0.160 C ATOM 34 O LIG 1 -2.438 3.828 -2.743 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -2.329 3.734 -1.321 0.00 0.00 +0.160 C ATOM 36 C LIG 1 -3.378 2.802 -0.733 0.00 0.00 +0.039 C ENDBRANCH 9 31 BRANCH 1 38 ATOM 37 C LIG 1 -5.197 -1.375 1.938 0.00 0.00 +0.006 C ATOM 38 C LIG 1 -5.216 -1.163 0.429 0.00 0.00 +0.031 C ENDBRANCH 1 38 TORSDOF 5