REMARK Name = BDB018202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.139 -0.539 -0.712 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.039 -0.853 -0.068 0.00 0.00 +0.117 A ATOM 3 N LIG 1 0.958 -1.111 -1.049 0.00 0.00 -0.266 N ATOM 4 N LIG 1 0.446 -1.020 -2.293 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 -0.824 -0.663 -2.084 0.00 0.00 +0.143 A ENDROOT BRANCH 1 12 ATOM 6 C LIG 1 -4.170 -0.645 3.114 0.00 0.00 +0.152 C ATOM 7 N LIG 1 -3.917 -0.197 1.754 0.00 0.00 -0.318 N ATOM 8 C LIG 1 -4.889 0.548 1.092 0.00 0.00 +0.251 A ATOM 9 O LIG 1 -5.975 0.874 1.560 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -4.543 0.965 -0.290 0.00 0.00 +0.071 A ATOM 11 C LIG 1 -3.368 0.617 -0.831 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -2.387 -0.176 -0.100 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -2.711 -0.539 1.158 0.00 0.00 +0.097 A ENDBRANCH 1 12 BRANCH 3 14 ATOM 14 C LIG 1 2.350 -1.496 -0.861 0.00 0.00 +0.179 C BRANCH 14 15 ATOM 15 C LIG 1 3.264 -0.288 -0.859 0.00 0.00 -0.009 A ATOM 16 C LIG 1 3.663 0.361 0.326 0.00 0.00 +0.057 A ATOM 17 C LIG 1 4.504 1.483 0.264 0.00 0.00 +0.019 A ATOM 18 C LIG 1 4.943 1.969 -0.967 0.00 0.00 +0.001 A ATOM 19 C LIG 1 4.543 1.342 -2.143 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.709 0.225 -2.091 0.00 0.00 +0.007 A BRANCH 16 21 ATOM 21 C LIG 1 3.229 -0.094 1.616 0.00 0.00 +0.099 C ATOM 22 N LIG 1 2.855 -0.487 2.642 0.00 0.00 -0.191 NA ENDBRANCH 16 21 ENDBRANCH 14 15 ENDBRANCH 3 14 TORSDOF 4