REMARK Name = BDB037786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.758 0.986 0.058 0.00 0.00 +0.089 A ATOM 2 C LIG 1 -0.964 -0.086 -0.403 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -0.253 -0.316 -1.689 0.00 0.00 +0.083 C ATOM 4 C LIG 1 0.766 -1.460 -1.529 0.00 0.00 +0.172 C ATOM 5 C LIG 1 0.252 -2.633 -0.661 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -0.491 -2.322 0.498 0.00 0.00 -0.254 N ATOM 7 O LIG 1 0.589 -3.792 -0.920 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -0.967 -1.010 0.619 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -1.551 -0.369 1.706 0.00 0.00 -0.218 N ATOM 10 N LIG 1 -2.190 0.766 1.307 0.00 0.00 -0.167 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -1.321 -0.548 -2.750 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -2.231 -1.622 -2.704 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -3.186 -1.793 -3.709 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -3.239 -0.897 -4.769 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -4.161 -1.063 -5.724 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -2.349 0.167 -4.848 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.391 0.338 -3.845 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -1.431 -0.631 3.098 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.424 -0.162 3.972 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -2.330 -0.427 5.337 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -1.237 -1.128 5.842 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -0.227 -1.558 4.984 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -0.316 -1.301 3.616 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 2.010 -0.991 -0.905 0.00 0.00 -0.297 N ATOM 25 H LIG 1 2.063 -0.896 0.105 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.192 -0.836 -1.605 0.00 0.00 +0.282 C ATOM 27 O LIG 1 3.273 -0.995 -2.817 0.00 0.00 -0.267 OA BRANCH 26 28 ATOM 28 C LIG 1 4.382 -0.489 -0.736 0.00 0.00 +0.216 A ATOM 29 N LIG 1 5.577 -0.327 -1.332 0.00 0.00 -0.219 NA ATOM 30 C LIG 1 6.640 -0.099 -0.518 0.00 0.00 +0.147 A ATOM 31 C LIG 1 6.494 -0.030 0.864 0.00 0.00 +0.052 A ATOM 32 C LIG 1 5.226 -0.204 1.368 0.00 0.00 +0.115 A ATOM 33 N LIG 1 4.148 -0.424 0.597 0.00 0.00 -0.232 NA BRANCH 30 34 ATOM 34 C LIG 1 8.021 0.095 -1.136 0.00 0.00 +0.434 C ATOM 35 F LIG 1 8.267 -0.723 -2.193 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.227 1.369 -1.577 0.00 0.00 -0.164 F ATOM 37 F LIG 1 9.032 -0.147 -0.247 0.00 0.00 -0.164 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 1 38 ATOM 38 C LIG 1 -2.119 2.261 -0.662 0.00 0.00 +0.121 C ATOM 39 C LIG 1 -3.600 2.316 -1.030 0.00 0.00 +0.034 C BRANCH 38 41 ATOM 40 C LIG 1 -1.438 4.598 -0.277 0.00 0.00 +0.237 C ATOM 41 N LIG 1 -1.756 3.361 0.213 0.00 0.00 -0.304 N ATOM 42 H LIG 1 -1.869 3.192 1.206 0.00 0.00 +0.150 HD ATOM 43 O LIG 1 -1.388 4.872 -1.470 0.00 0.00 -0.271 OA BRANCH 40 45 ATOM 44 C LIG 1 -0.682 6.801 0.474 0.00 0.00 +0.013 C ATOM 45 C LIG 1 -1.141 5.583 0.788 0.00 0.00 +0.059 C ENDBRANCH 40 45 ENDBRANCH 38 41 ENDBRANCH 1 38 BRANCH 6 46 ATOM 46 C LIG 1 -1.022 -3.462 1.255 0.00 0.00 +0.112 C ATOM 47 C LIG 1 -2.235 -4.089 0.575 0.00 0.00 +0.025 C ENDBRANCH 6 46 TORSDOF 9