REMARK Name = BDB017647 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.171 2.202 1.812 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -2.428 1.032 1.222 0.00 0.00 -0.039 A ATOM 3 C LIG 1 -3.011 0.061 0.370 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -2.222 -1.060 0.033 0.00 0.00 +0.051 A ATOM 5 N LIG 1 -2.786 -2.141 -0.653 0.00 0.00 -0.322 N ATOM 6 H LIG 1 -2.239 -2.970 -0.840 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 -4.101 -2.217 -1.000 0.00 0.00 +0.254 A ATOM 8 C LIG 1 -4.919 -1.001 -0.775 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -6.325 -1.037 -1.314 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -7.170 0.144 -0.831 0.00 0.00 +0.023 C ATOM 11 C LIG 1 -6.367 1.435 -0.913 0.00 0.00 +0.102 C ATOM 12 N LIG 1 -5.128 1.285 -0.156 0.00 0.00 -0.343 N ATOM 13 H LIG 1 -4.522 2.095 -0.255 0.00 0.00 +0.146 HD ATOM 14 O LIG 1 -4.565 -3.230 -1.516 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -0.878 -1.168 0.408 0.00 0.00 +0.031 A ATOM 16 C LIG 1 -0.278 -0.164 1.165 0.00 0.00 -0.031 A ATOM 17 C LIG 1 -4.399 0.096 -0.187 0.00 0.00 +0.045 A ATOM 18 C LIG 1 -1.066 0.916 1.578 0.00 0.00 +0.009 A ENDROOT BRANCH 16 19 ATOM 19 C LIG 1 1.175 -0.267 1.582 0.00 0.00 +0.120 C BRANCH 19 20 ATOM 20 N LIG 1 1.969 0.913 1.186 0.00 0.00 -0.293 NA ATOM 21 C LIG 1 2.220 0.925 -0.287 0.00 0.00 +0.071 C ATOM 22 C LIG 1 1.773 2.288 -0.825 0.00 0.00 +0.026 C ATOM 23 C LIG 1 3.686 0.641 -0.741 0.00 0.00 +0.126 C ATOM 24 N LIG 1 4.280 -0.407 0.088 0.00 0.00 -0.297 N ATOM 25 C LIG 1 4.256 -0.182 1.536 0.00 0.00 +0.123 C ATOM 26 C LIG 1 3.251 0.930 1.921 0.00 0.00 +0.104 C BRANCH 24 27 ATOM 27 C LIG 1 5.407 -1.047 -0.398 0.00 0.00 +0.218 A ATOM 28 N LIG 1 5.740 -0.895 -1.694 0.00 0.00 -0.220 NA ATOM 29 C LIG 1 6.828 -1.556 -2.147 0.00 0.00 +0.154 A ATOM 30 C LIG 1 7.598 -2.364 -1.357 0.00 0.00 +0.160 A ATOM 31 F LIG 1 8.670 -3.009 -1.827 0.00 0.00 -0.202 F ATOM 32 C LIG 1 7.197 -2.469 -0.054 0.00 0.00 +0.154 A ATOM 33 N LIG 1 6.117 -1.826 0.443 0.00 0.00 -0.220 NA ENDBRANCH 24 27 ENDBRANCH 19 20 ENDBRANCH 16 19 TORSDOF 3