REMARK Name = BDB020157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.843 -0.816 -0.985 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.639 -0.628 -1.669 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.123 0.661 -1.825 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.839 1.774 -1.373 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -2.056 1.600 -0.701 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.546 0.298 -0.506 0.00 0.00 +0.014 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -3.392 -5.447 -1.759 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.029 -4.198 -1.132 0.00 0.00 -0.273 N ATOM 9 N LIG 1 -3.153 -4.067 0.200 0.00 0.00 -0.167 NA ATOM 10 C LIG 1 -2.719 -2.815 0.458 0.00 0.00 +0.173 A ATOM 11 C LIG 1 -2.349 -2.152 -0.751 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -2.553 -3.081 -1.748 0.00 0.00 +0.117 A BRANCH 10 13 ATOM 13 C LIG 1 -2.644 -2.248 1.850 0.00 0.00 +0.437 C ATOM 14 F LIG 1 -3.573 -1.269 2.048 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -2.845 -3.169 2.830 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -1.434 -1.676 2.104 0.00 0.00 -0.164 F ENDBRANCH 10 13 ENDBRANCH 1 11 BRANCH 3 17 ATOM 17 C LIG 1 1.137 0.841 -2.563 0.00 0.00 +0.245 C ATOM 18 N LIG 1 2.195 1.516 -2.011 0.00 0.00 -0.304 N ATOM 19 H LIG 1 2.923 1.585 -2.712 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 1.213 0.415 -3.713 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 2.751 1.437 -0.657 0.00 0.00 +0.107 C BRANCH 21 22 ATOM 22 C LIG 1 3.637 0.211 -0.471 0.00 0.00 -0.025 A ATOM 23 C LIG 1 3.191 -1.091 -0.748 0.00 0.00 +0.027 A ATOM 24 C LIG 1 4.025 -2.200 -0.565 0.00 0.00 +0.060 A ATOM 25 CL LIG 1 3.374 -3.760 -0.926 0.00 0.00 -0.082 Cl ATOM 26 C LIG 1 5.330 -2.021 -0.100 0.00 0.00 +0.059 A ATOM 27 CL LIG 1 6.417 -3.340 0.152 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 5.792 -0.734 0.179 0.00 0.00 +0.022 A ATOM 29 C LIG 1 4.954 0.370 -0.004 0.00 0.00 +0.007 A ENDBRANCH 21 22 BRANCH 21 30 ATOM 30 C LIG 1 1.778 1.719 0.454 0.00 0.00 +0.014 C ATOM 31 C LIG 1 1.101 0.677 1.321 0.00 0.00 +0.006 C ATOM 32 C LIG 1 2.158 1.564 1.913 0.00 0.00 +0.006 C ENDBRANCH 21 30 ENDBRANCH 18 21 ENDBRANCH 3 17 BRANCH 5 33 ATOM 33 C LIG 1 -2.799 2.794 -0.144 0.00 0.00 +0.161 C BRANCH 33 34 ATOM 34 N LIG 1 -2.330 3.112 1.184 0.00 0.00 -0.295 N ATOM 35 C LIG 1 -1.325 4.007 1.449 0.00 0.00 +0.296 A ATOM 36 N LIG 1 -0.665 4.764 0.648 0.00 0.00 -0.250 NA ATOM 37 H LIG 1 -0.005 5.291 1.232 0.00 0.00 +0.191 HD ATOM 38 O LIG 1 -1.037 4.035 2.807 0.00 0.00 -0.431 OA ATOM 39 C LIG 1 -1.934 3.075 3.294 0.00 0.00 +0.217 A ATOM 40 C LIG 1 -2.696 2.522 2.357 0.00 0.00 +0.129 A ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 8