REMARK Name = BDB045097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.542 2.068 -1.379 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -2.714 1.197 -0.709 0.00 0.00 +0.067 A ATOM 3 N LIG 1 -3.017 0.069 -0.034 0.00 0.00 -0.315 N ATOM 4 H LIG 1 -3.984 -0.244 0.043 0.00 0.00 +0.152 HD ATOM 5 C LIG 1 -2.056 -0.678 0.645 0.00 0.00 +0.016 C ATOM 6 C LIG 1 -2.566 -1.870 1.421 0.00 0.00 +0.051 C ATOM 7 C LIG 1 -1.613 -2.293 2.532 0.00 0.00 +0.014 C ATOM 8 C LIG 1 -0.195 -2.430 2.008 0.00 0.00 +0.080 C ATOM 9 C LIG 1 0.266 -1.148 1.350 0.00 0.00 +0.162 C ATOM 10 O LIG 1 1.456 -0.829 1.375 0.00 0.00 -0.292 OA ATOM 11 C LIG 1 -0.746 -0.326 0.620 0.00 0.00 +0.024 C ATOM 12 C LIG 1 -0.244 0.893 -0.147 0.00 0.00 +0.087 C ATOM 13 C LIG 1 -1.375 1.648 -0.796 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -1.408 2.827 -1.511 0.00 0.00 +0.089 A ATOM 15 N LIG 1 -2.713 3.062 -1.869 0.00 0.00 -0.354 N ATOM 16 H LIG 1 -3.042 3.852 -2.411 0.00 0.00 +0.166 HD ENDROOT BRANCH 12 17 ATOM 17 C LIG 1 0.718 0.519 -1.268 0.00 0.00 -0.032 A ATOM 18 C LIG 1 2.073 0.855 -1.123 0.00 0.00 +0.051 A ATOM 19 C LIG 1 3.024 0.339 -2.002 0.00 0.00 +0.132 A ATOM 20 C LIG 1 2.632 -0.405 -3.112 0.00 0.00 +0.046 A ATOM 21 C LIG 1 1.283 -0.696 -3.304 0.00 0.00 +0.004 A ATOM 22 C LIG 1 0.335 -0.260 -2.375 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 O LIG 1 4.366 0.539 -1.799 0.00 0.00 -0.425 OA BRANCH 23 24 ATOM 24 C LIG 1 4.962 0.122 -0.677 0.00 0.00 +0.302 A ATOM 25 N LIG 1 4.362 -0.560 0.356 0.00 0.00 -0.308 N ATOM 26 H LIG 1 3.382 -0.806 0.426 0.00 0.00 +0.170 HD ATOM 27 C LIG 1 5.316 -0.808 1.310 0.00 0.00 +0.069 A ATOM 28 C LIG 1 6.478 -0.259 0.781 0.00 0.00 +0.093 A ATOM 29 C LIG 1 7.669 -0.344 1.518 0.00 0.00 +0.030 A ATOM 30 C LIG 1 7.643 -0.978 2.767 0.00 0.00 +0.002 A ATOM 31 C LIG 1 6.457 -1.516 3.273 0.00 0.00 +0.002 A ATOM 32 C LIG 1 5.259 -1.443 2.552 0.00 0.00 +0.028 A ATOM 33 N LIG 1 6.243 0.309 -0.446 0.00 0.00 -0.195 NA ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 12 17 BRANCH 1 34 ATOM 34 C LIG 1 -4.964 2.087 -1.604 0.00 0.00 +0.357 C ATOM 35 O LIG 1 -5.550 2.961 -2.231 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 O LIG 1 -5.558 1.007 -1.021 0.00 0.00 -0.460 OA BRANCH 36 38 ATOM 37 C LIG 1 -7.678 1.700 -0.082 0.00 0.00 +0.048 C ATOM 38 C LIG 1 -6.981 0.921 -1.181 0.00 0.00 +0.229 C ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 1 34 TORSDOF 6