REMARK Name = BDB000291 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.031 0.045 -1.285 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -0.198 0.152 -0.156 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.650 1.254 0.037 0.00 0.00 +0.079 A ATOM 4 N LIG 1 1.560 1.343 1.130 0.00 0.00 -0.263 N ATOM 5 C LIG 1 2.372 2.471 1.264 0.00 0.00 +0.273 C ATOM 6 C LIG 1 1.909 3.695 0.474 0.00 0.00 +0.276 C ATOM 7 O LIG 1 1.395 3.406 -0.834 0.00 0.00 -0.466 OA ATOM 8 C LIG 1 0.820 4.432 1.271 0.00 0.00 +0.075 C ATOM 9 O LIG 1 3.330 2.488 2.036 0.00 0.00 -0.271 OA ATOM 10 C LIG 1 0.627 2.278 -0.915 0.00 0.00 +0.144 A ATOM 11 C LIG 1 -0.172 2.181 -2.054 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -0.991 1.069 -2.241 0.00 0.00 +0.012 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -3.295 -1.061 -1.269 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -1.913 -1.119 -1.465 0.00 0.00 +0.043 A ATOM 15 C LIG 1 -1.435 -2.370 -1.873 0.00 0.00 +0.129 A ATOM 16 N LIG 1 -2.232 -3.435 -2.051 0.00 0.00 -0.199 NA ATOM 17 C LIG 1 -3.532 -3.273 -1.828 0.00 0.00 +0.214 A ATOM 18 N LIG 1 -4.104 -2.129 -1.459 0.00 0.00 -0.219 NA BRANCH 15 19 ATOM 19 N LIG 1 -0.061 -2.617 -2.035 0.00 0.00 -0.343 N ATOM 20 H LIG 1 0.383 -2.651 -1.108 0.00 0.00 +0.144 HD ATOM 21 H LIG 1 0.382 -1.868 -2.554 0.00 0.00 +0.144 HD ENDBRANCH 15 19 BRANCH 17 22 ATOM 22 N LIG 1 -4.356 -4.360 -2.038 0.00 0.00 -0.327 N ATOM 23 H LIG 1 -5.282 -4.040 -2.284 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -3.897 -5.000 -2.672 0.00 0.00 +0.145 HD ENDBRANCH 17 22 BRANCH 13 26 ATOM 25 C LIG 1 -4.011 0.258 0.744 0.00 0.00 +0.010 C ATOM 26 C LIG 1 -4.004 0.177 -0.775 0.00 0.00 +0.053 C ENDBRANCH 13 26 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 3.121 4.613 0.312 0.00 0.00 +0.438 C ATOM 28 F LIG 1 4.145 4.001 -0.328 0.00 0.00 -0.166 F ATOM 29 F LIG 1 3.588 5.091 1.488 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.796 5.704 -0.433 0.00 0.00 -0.166 F ENDBRANCH 6 27 BRANCH 4 31 ATOM 31 C LIG 1 1.893 0.161 1.929 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 C LIG 1 2.995 -0.687 1.275 0.00 0.00 +0.123 C BRANCH 32 33 ATOM 33 N LIG 1 3.027 -2.049 1.775 0.00 0.00 -0.314 N ATOM 34 H LIG 1 3.725 -2.300 2.465 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 2.144 -2.995 1.310 0.00 0.00 +0.210 C ATOM 36 O LIG 1 1.271 -2.742 0.483 0.00 0.00 -0.276 OA ATOM 37 C LIG 1 2.316 -4.365 1.906 0.00 0.00 +0.109 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 4 31 TORSDOF 8