REMARK Name = BDB008769 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.236 -0.869 0.186 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.913 -0.912 0.431 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -0.252 0.263 0.468 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.846 1.493 0.254 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -2.217 1.533 -0.013 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.920 0.321 -0.022 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.891 2.810 -0.218 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -3.648 3.172 -1.329 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -4.264 4.416 -1.348 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -4.962 4.480 -2.574 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -4.781 3.370 -3.302 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -5.794 5.592 -3.088 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -4.162 5.319 -0.348 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -3.394 4.901 0.662 0.00 0.00 +0.222 A ATOM 15 N LIG 1 -3.971 2.606 -2.536 0.00 0.00 -0.263 N ATOM 16 C LIG 1 -3.520 1.349 -3.087 0.00 0.00 +0.173 C ATOM 17 N LIG 1 -2.757 3.723 0.776 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -4.122 -2.464 -0.171 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.827 -2.132 0.163 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -2.165 -2.860 0.398 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -4.987 -1.656 -0.505 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.426 -3.985 -0.037 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.463 -4.855 -0.845 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -6.181 -4.283 -1.754 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -5.853 -4.265 -0.333 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -6.401 -3.514 0.099 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 C LIG 1 1.144 0.154 0.745 0.00 0.00 -0.041 C ATOM 28 C LIG 1 2.319 0.064 0.977 0.00 0.00 -0.060 C BRANCH 28 29 ATOM 29 C LIG 1 3.718 -0.045 1.254 0.00 0.00 +0.025 A ATOM 30 C LIG 1 4.264 0.592 2.367 0.00 0.00 +0.019 A ATOM 31 C LIG 1 5.633 0.488 2.641 0.00 0.00 +0.027 A ATOM 32 C LIG 1 6.471 -0.259 1.798 0.00 0.00 +0.048 A ATOM 33 C LIG 1 5.913 -0.897 0.680 0.00 0.00 +0.027 A ATOM 34 C LIG 1 4.543 -0.789 0.412 0.00 0.00 +0.019 A BRANCH 32 35 ATOM 35 N LIG 1 7.867 -0.369 2.073 0.00 0.00 -0.306 N ATOM 36 C LIG 1 8.814 -1.059 1.345 0.00 0.00 +0.115 A ATOM 37 C LIG 1 10.017 -0.878 1.993 0.00 0.00 +0.056 A ATOM 38 C LIG 1 11.356 -1.399 1.641 0.00 0.00 +0.067 C ATOM 39 N LIG 1 9.844 -0.095 3.101 0.00 0.00 -0.241 NA ATOM 40 C LIG 1 8.561 0.192 3.124 0.00 0.00 +0.204 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 3 27 TORSDOF 7