REMARK Name = BDB064185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.297 -0.602 -0.802 0.00 0.00 +0.146 A ATOM 2 N LIG 1 -0.421 -1.619 -0.884 0.00 0.00 -0.132 NA ATOM 3 N LIG 1 0.938 -1.407 -0.693 0.00 0.00 -0.132 NA ATOM 4 C LIG 1 1.432 -0.183 -0.421 0.00 0.00 +0.144 A ATOM 5 C LIG 1 0.544 0.884 -0.371 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -0.825 0.675 -0.564 0.00 0.00 +0.049 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.809 0.019 -0.241 0.00 0.00 -0.311 N ATOM 8 C LIG 1 3.628 -1.193 -0.428 0.00 0.00 +0.121 C ATOM 9 C LIG 1 5.133 -0.826 -0.489 0.00 0.00 +0.100 C ATOM 10 N LIG 1 5.564 0.334 0.324 0.00 0.00 -0.313 NA ATOM 11 H LIG 1 5.493 1.154 -0.283 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 4.611 0.538 1.428 0.00 0.00 +0.100 C ATOM 13 C LIG 1 3.170 0.829 0.941 0.00 0.00 +0.121 C ENDBRANCH 4 7 BRANCH 1 14 ATOM 14 N LIG 1 -2.646 -0.890 -1.030 0.00 0.00 -0.298 N ATOM 15 H LIG 1 -2.733 -1.877 -1.258 0.00 0.00 +0.154 HD BRANCH 14 20 ATOM 16 F LIG 1 -7.396 1.220 0.907 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -6.243 0.713 0.454 0.00 0.00 +0.124 A ATOM 18 C LIG 1 -5.059 1.003 1.117 0.00 0.00 +0.040 A ATOM 19 C LIG 1 -3.853 0.475 0.644 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -3.825 -0.350 -0.488 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -5.039 -0.626 -1.139 0.00 0.00 +0.026 A ATOM 22 C LIG 1 -6.245 -0.099 -0.671 0.00 0.00 +0.040 A ENDBRANCH 14 20 ENDBRANCH 1 14 TORSDOF 3