REMARK Name = BDB009518 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.008 -0.283 0.300 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.125 -1.362 1.171 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.979 -1.328 2.203 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.653 -2.501 0.987 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.575 -2.552 -0.061 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.737 -1.456 -0.924 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.931 -0.323 -0.740 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.164 2.003 0.587 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.792 0.950 0.491 0.00 0.00 +0.249 C ATOM 10 N LIG 1 2.179 0.888 0.516 0.00 0.00 -0.294 N ATOM 11 C LIG 1 2.922 2.119 0.785 0.00 0.00 +0.127 C ATOM 12 C LIG 1 4.345 1.867 1.314 0.00 0.00 +0.124 C ATOM 13 N LIG 1 5.114 0.982 0.419 0.00 0.00 -0.326 N ATOM 14 C LIG 1 4.348 0.083 -0.461 0.00 0.00 +0.124 C ATOM 15 C LIG 1 2.983 -0.286 0.153 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 6.496 1.048 0.354 0.00 0.00 +0.048 A ATOM 17 C LIG 1 7.243 0.561 -0.728 0.00 0.00 +0.133 A ATOM 18 N LIG 1 8.597 0.591 -0.847 0.00 0.00 -0.261 NA ATOM 19 C LIG 1 9.275 1.143 0.174 0.00 0.00 +0.111 A ATOM 20 C LIG 1 8.662 1.661 1.298 0.00 0.00 +0.021 A ATOM 21 C LIG 1 7.268 1.608 1.380 0.00 0.00 +0.026 A ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 22 ATOM 22 C LIG 1 -2.749 -1.499 -2.046 0.00 0.00 +0.092 C BRANCH 22 23 ATOM 23 C LIG 1 -4.164 -1.820 -1.573 0.00 0.00 +0.069 A ATOM 24 C LIG 1 -4.971 -0.770 -0.875 0.00 0.00 -0.016 A ATOM 25 C LIG 1 -4.433 0.619 -0.672 0.00 0.00 +0.037 C ATOM 26 C LIG 1 -5.506 1.632 -0.262 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -6.428 1.053 0.804 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -7.120 -0.215 0.299 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -6.194 -1.134 -0.449 0.00 0.00 +0.023 A ATOM 30 C LIG 1 -6.694 -2.508 -0.705 0.00 0.00 +0.268 A ATOM 31 O LIG 1 -7.810 -2.869 -0.346 0.00 0.00 -0.266 OA ATOM 32 N LIG 1 -5.837 -3.343 -1.369 0.00 0.00 -0.243 N ATOM 33 H LIG 1 -6.161 -4.286 -1.555 0.00 0.00 +0.192 HD ATOM 34 N LIG 1 -4.587 -3.029 -1.799 0.00 0.00 -0.175 NA ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 4