REMARK Name = BDB030140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.941 -1.364 0.673 0.00 0.00 +0.262 C ATOM 2 N LIG 1 1.720 -2.513 0.728 0.00 0.00 -0.228 N ATOM 3 H LIG 1 1.392 -3.349 0.242 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 1.391 -0.243 0.899 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -2.672 -0.467 -0.067 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.311 -0.385 0.277 0.00 0.00 +0.026 A ATOM 7 C LIG 1 -0.492 -1.527 0.303 0.00 0.00 +0.075 A ATOM 8 C LIG 1 -1.051 -2.762 -0.023 0.00 0.00 +0.154 A ATOM 9 F LIG 1 -0.294 -3.872 -0.016 0.00 0.00 -0.203 F ATOM 10 C LIG 1 -2.399 -2.857 -0.364 0.00 0.00 +0.077 A ATOM 11 CL LIG 1 -3.089 -4.385 -0.764 0.00 0.00 -0.081 Cl ATOM 12 C LIG 1 -3.209 -1.720 -0.388 0.00 0.00 +0.033 A BRANCH 5 16 ATOM 13 C LIG 1 -6.392 2.803 -0.470 0.00 0.00 +0.150 C ATOM 14 N LIG 1 -5.111 2.181 -0.256 0.00 0.00 -0.339 N ATOM 15 C LIG 1 -4.821 0.850 -0.382 0.00 0.00 +0.115 A ATOM 16 C LIG 1 -3.478 0.744 -0.081 0.00 0.00 +0.089 A ATOM 17 N LIG 1 -2.964 1.985 0.222 0.00 0.00 -0.236 NA ATOM 18 C LIG 1 -3.966 2.826 0.108 0.00 0.00 +0.199 A ENDBRANCH 5 16 ENDBRANCH 1 7 BRANCH 2 19 ATOM 19 N LIG 1 3.216 -2.316 0.726 0.00 0.00 -0.108 NA ATOM 20 H LIG 1 3.783 -2.933 1.312 0.00 0.00 +0.172 HD BRANCH 19 21 ATOM 21 S LIG 1 3.951 -1.975 -0.768 0.00 0.00 +0.076 S ATOM 22 O LIG 1 5.200 -2.704 -0.809 0.00 0.00 -0.152 OA ATOM 23 O LIG 1 2.947 -2.168 -1.797 0.00 0.00 -0.152 OA BRANCH 21 24 ATOM 24 C LIG 1 4.313 -0.261 -0.645 0.00 0.00 +0.142 A ATOM 25 C LIG 1 5.155 0.176 0.372 0.00 0.00 +0.152 A ATOM 26 F LIG 1 5.684 -0.686 1.251 0.00 0.00 -0.203 F ATOM 27 C LIG 1 5.464 1.526 0.497 0.00 0.00 +0.078 A ATOM 28 C LIG 1 4.918 2.430 -0.407 0.00 0.00 +0.126 A ATOM 29 F LIG 1 5.212 3.732 -0.294 0.00 0.00 -0.205 F ATOM 30 C LIG 1 4.072 2.007 -1.430 0.00 0.00 +0.040 A ATOM 31 C LIG 1 3.765 0.651 -1.555 0.00 0.00 +0.034 A ENDBRANCH 21 24 ENDBRANCH 19 21 ENDBRANCH 2 19 TORSDOF 5