REMARK Name = BDB018220 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.916 0.310 -1.261 0.00 0.00 -0.264 N ATOM 2 N LIG 1 0.576 -0.905 -1.748 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 -0.697 -1.052 -1.373 0.00 0.00 +0.143 A ATOM 4 C LIG 1 -1.186 0.058 -0.649 0.00 0.00 +0.024 A ATOM 5 C LIG 1 -0.115 0.923 -0.597 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.486 0.258 -0.076 0.00 0.00 +0.037 A ATOM 7 C LIG 1 -3.080 1.583 0.035 0.00 0.00 +0.138 A ATOM 8 F LIG 1 -2.396 2.647 -0.440 0.00 0.00 -0.205 F ATOM 9 C LIG 1 -4.284 1.794 0.572 0.00 0.00 +0.109 A ATOM 10 C LIG 1 -5.072 0.652 1.082 0.00 0.00 +0.254 A ATOM 11 O LIG 1 -6.174 0.863 1.580 0.00 0.00 -0.268 OA ATOM 12 N LIG 1 -4.480 -0.600 0.949 0.00 0.00 -0.318 N ATOM 13 C LIG 1 -5.189 -1.775 1.432 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -3.223 -0.772 0.387 0.00 0.00 +0.100 A ENDBRANCH 4 6 BRANCH 1 16 ATOM 15 C LIG 1 2.913 0.415 -2.778 0.00 0.00 +0.038 C ATOM 16 C LIG 1 2.257 0.870 -1.470 0.00 0.00 +0.134 C BRANCH 16 17 ATOM 17 C LIG 1 3.145 0.606 -0.264 0.00 0.00 -0.023 A ATOM 18 C LIG 1 3.457 -0.702 0.144 0.00 0.00 +0.006 A ATOM 19 C LIG 1 4.279 -0.927 1.249 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.802 0.150 1.960 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.505 1.453 1.568 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.682 1.682 0.463 0.00 0.00 +0.006 A ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 3