REMARK Name = BDB034966 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.505 1.449 2.461 0.00 0.00 +0.046 C ATOM 2 C LIG 1 3.122 0.785 1.168 0.00 0.00 -0.020 A ATOM 3 C LIG 1 1.870 0.185 1.030 0.00 0.00 +0.092 A ATOM 4 C LIG 1 1.593 -0.402 -0.223 0.00 0.00 +0.092 A ATOM 5 C LIG 1 0.351 -0.999 -0.374 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.582 -1.023 0.668 0.00 0.00 -0.023 A ATOM 7 C LIG 1 -0.210 -0.415 1.855 0.00 0.00 +0.115 A ATOM 8 N LIG 1 2.455 -0.414 -1.260 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 3.649 0.167 -1.090 0.00 0.00 +0.117 A ATOM 10 N LIG 1 0.986 0.178 2.055 0.00 0.00 -0.253 NA ATOM 11 C LIG 1 4.019 0.780 0.093 0.00 0.00 +0.048 A ENDROOT BRANCH 9 12 ATOM 12 N LIG 1 4.507 0.161 -2.185 0.00 0.00 -0.343 N ATOM 13 H LIG 1 4.049 -0.372 -2.920 0.00 0.00 +0.144 HD ATOM 14 H LIG 1 5.414 -0.224 -1.950 0.00 0.00 +0.144 HD ENDBRANCH 9 12 BRANCH 6 15 ATOM 15 C LIG 1 -1.936 -1.656 0.498 0.00 0.00 +0.074 C BRANCH 15 16 ATOM 16 C LIG 1 -2.926 -0.771 -0.214 0.00 0.00 -0.008 A ATOM 17 C LIG 1 -3.141 -0.910 -1.589 0.00 0.00 +0.127 A ATOM 18 F LIG 1 -2.476 -1.849 -2.277 0.00 0.00 -0.205 F ATOM 19 C LIG 1 -4.038 -0.091 -2.269 0.00 0.00 +0.038 A ATOM 20 C LIG 1 -4.737 0.893 -1.573 0.00 0.00 +0.003 A ATOM 21 C LIG 1 -4.534 1.051 -0.203 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.632 0.226 0.475 0.00 0.00 +0.007 A ENDBRANCH 15 16 ENDBRANCH 6 15 TORSDOF 3