REMARK Name = BDB009304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.958 -0.919 0.433 0.00 0.00 +0.079 A ATOM 2 C LIG 1 2.897 -2.109 1.173 0.00 0.00 +0.145 A ATOM 3 F LIG 1 3.983 -2.881 1.328 0.00 0.00 -0.204 F ATOM 4 C LIG 1 1.745 -2.487 1.863 0.00 0.00 +0.040 A ATOM 5 C LIG 1 0.620 -1.668 1.841 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.653 -0.456 1.144 0.00 0.00 -0.040 A ATOM 7 C LIG 1 1.821 -0.093 0.446 0.00 0.00 +0.030 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 4.865 -2.654 -1.032 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 4.991 -1.449 -0.872 0.00 0.00 +0.227 C ATOM 10 N LIG 1 4.127 -0.548 -0.290 0.00 0.00 -0.208 N ATOM 11 C LIG 1 4.482 0.748 -0.586 0.00 0.00 +0.227 C ATOM 12 O LIG 1 3.948 1.792 -0.236 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 5.697 0.729 -1.465 0.00 0.00 +0.106 C ATOM 14 C LIG 1 6.181 -0.698 -1.389 0.00 0.00 +0.106 C ENDBRANCH 1 10 BRANCH 6 15 ATOM 15 C LIG 1 -0.565 0.441 1.110 0.00 0.00 +0.094 C BRANCH 15 16 ATOM 16 C LIG 1 -1.574 0.119 0.011 0.00 0.00 +0.087 A ATOM 17 C LIG 1 -2.967 0.676 0.161 0.00 0.00 +0.059 A ATOM 18 N LIG 1 -3.307 1.514 1.219 0.00 0.00 -0.342 N ATOM 19 H LIG 1 -2.530 2.052 1.597 0.00 0.00 +0.146 HD ATOM 20 C LIG 1 -4.568 2.250 1.197 0.00 0.00 +0.102 C ATOM 21 C LIG 1 -5.671 1.350 0.647 0.00 0.00 +0.023 C ATOM 22 C LIG 1 -5.288 0.782 -0.726 0.00 0.00 +0.044 C ATOM 23 C LIG 1 -3.857 0.321 -0.778 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -3.444 -0.522 -1.922 0.00 0.00 +0.270 A ATOM 25 O LIG 1 -4.237 -0.856 -2.796 0.00 0.00 -0.266 OA ATOM 26 N LIG 1 -2.124 -0.883 -1.954 0.00 0.00 -0.243 N ATOM 27 H LIG 1 -1.820 -1.465 -2.728 0.00 0.00 +0.192 HD ATOM 28 N LIG 1 -1.191 -0.594 -1.008 0.00 0.00 -0.174 NA ENDBRANCH 15 16 ENDBRANCH 6 15 TORSDOF 3