REMARK Name = BDB035792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.873 0.285 -1.924 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.696 0.140 -1.150 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.438 -0.183 -1.700 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.364 -0.364 -3.081 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.495 -0.222 -3.884 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -3.724 0.099 -3.312 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.293 -0.313 -0.864 0.00 0.00 -0.263 N ATOM 8 C LIG 1 0.996 -0.687 -1.268 0.00 0.00 +0.251 C ATOM 9 O LIG 1 1.431 -1.005 -2.359 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.847 -0.653 -0.071 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.067 -0.269 1.012 0.00 0.00 -0.018 A ATOM 12 C LIG 1 1.627 -0.147 2.271 0.00 0.00 +0.006 A ATOM 13 C LIG 1 2.993 -0.422 2.417 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.785 -0.822 1.314 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.196 -0.933 0.045 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.335 -0.040 0.566 0.00 0.00 +0.149 C BRANCH 14 17 ATOM 17 C LIG 1 5.262 -1.101 1.492 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.059 -0.020 0.911 0.00 0.00 -0.307 NA ATOM 19 H LIG 1 5.660 0.870 1.209 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 7.495 -0.166 1.201 0.00 0.00 +0.017 C ATOM 21 C LIG 1 8.189 1.153 0.748 0.00 0.00 +0.022 C ATOM 22 C LIG 1 8.929 1.154 2.103 0.00 0.00 +0.004 C ATOM 23 C LIG 1 7.789 0.278 2.662 0.00 0.00 +0.022 C ATOM 24 C LIG 1 8.131 -1.443 0.681 0.00 0.00 +0.027 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 27 ATOM 25 C LIG 1 -5.305 2.548 -0.293 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -5.877 2.062 -1.643 0.00 0.00 +0.051 C ATOM 27 C LIG 1 -5.323 0.632 -1.297 0.00 0.00 +0.060 C ATOM 28 C LIG 1 -5.444 1.089 0.197 0.00 0.00 +0.051 C BRANCH 27 29 ATOM 29 C LIG 1 -6.344 -0.529 -1.634 0.00 0.00 +0.144 A ATOM 30 N LIG 1 -6.256 -1.846 -1.272 0.00 0.00 -0.320 N ATOM 31 C LIG 1 -5.224 -2.483 -0.502 0.00 0.00 +0.151 C ATOM 32 C LIG 1 -7.346 -2.458 -1.807 0.00 0.00 +0.224 A ATOM 33 N LIG 1 -8.067 -1.577 -2.459 0.00 0.00 -0.138 NA ATOM 34 N LIG 1 -7.432 -0.362 -2.357 0.00 0.00 -0.134 NA ENDBRANCH 27 29 BRANCH 25 36 ATOM 35 C LIG 1 -5.587 3.975 1.649 0.00 0.00 +0.194 C ATOM 36 O LIG 1 -6.095 3.535 0.398 0.00 0.00 -0.380 OA ENDBRANCH 25 36 ENDBRANCH 1 27 TORSDOF 7