REMARK Name = BDB002667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.027 -0.209 -0.265 0.00 0.00 -0.027 A ATOM 2 C LIG 1 -1.209 0.730 -0.913 0.00 0.00 +0.007 A ATOM 3 C LIG 1 0.182 0.735 -0.735 0.00 0.00 +0.023 A ATOM 4 C LIG 1 0.797 -0.208 0.083 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -0.003 -1.165 0.715 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -1.392 -1.170 0.541 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -3.542 -0.231 -0.472 0.00 0.00 +0.082 C ATOM 8 C LIG 1 -4.153 1.157 -0.775 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.636 1.042 -0.431 0.00 0.00 +0.002 C ATOM 10 C LIG 1 -5.742 -0.070 0.607 0.00 0.00 +0.002 C ATOM 11 C LIG 1 -4.322 -0.597 0.812 0.00 0.00 +0.026 C BRANCH 7 13 ATOM 12 N LIG 1 -4.174 -1.927 -2.405 0.00 0.00 -0.196 NA ATOM 13 C LIG 1 -3.882 -1.183 -1.562 0.00 0.00 +0.074 C ENDBRANCH 7 13 ENDBRANCH 1 7 BRANCH 4 14 ATOM 14 N LIG 1 2.187 -0.276 0.315 0.00 0.00 -0.281 N ATOM 15 H LIG 1 2.488 -1.031 0.921 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 3.171 0.561 -0.180 0.00 0.00 +0.251 C ATOM 17 O LIG 1 2.984 1.529 -0.912 0.00 0.00 -0.270 OA BRANCH 16 18 ATOM 18 C LIG 1 4.578 0.248 0.220 0.00 0.00 +0.072 A ATOM 19 C LIG 1 4.919 -0.811 1.065 0.00 0.00 +0.135 A ATOM 20 F LIG 1 3.977 -1.622 1.574 0.00 0.00 -0.205 F ATOM 21 C LIG 1 6.247 -1.063 1.410 0.00 0.00 +0.039 A ATOM 22 C LIG 1 7.261 -0.249 0.909 0.00 0.00 +0.003 A ATOM 23 C LIG 1 6.943 0.813 0.065 0.00 0.00 +0.001 A ATOM 24 C LIG 1 5.610 1.061 -0.278 0.00 0.00 +0.016 A ENDBRANCH 16 18 ENDBRANCH 4 14 TORSDOF 4