REMARK Name = BDB039009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.522 0.829 -0.674 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.574 -0.080 -0.242 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.192 0.383 -0.162 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.172 -0.704 0.062 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.547 -2.056 0.232 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.576 -3.049 0.411 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.215 -2.736 0.465 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.852 -1.389 0.328 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.375 -0.724 0.343 0.00 0.00 -0.322 N ATOM 10 C LIG 1 -0.115 0.620 0.093 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.189 0.816 -0.008 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.003 -2.441 0.152 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.797 -0.397 0.120 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.914 -1.274 0.522 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.256 1.937 -1.128 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.044 1.805 -0.047 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.411 2.441 1.302 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.767 3.153 1.288 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -3.036 3.899 -0.021 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -2.942 2.975 -1.251 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.233 1.640 -0.986 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -2.122 5.105 -0.141 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -1.217 5.273 -0.938 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.411 6.059 0.767 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -1.751 6.762 0.586 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.800 1.272 -0.990 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.795 0.362 -0.544 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.635 -1.437 0.615 0.00 0.00 +0.119 C ATOM 29 C LIG 1 -2.490 -0.772 1.698 0.00 0.00 +0.034 C BRANCH 28 30 ATOM 30 C LIG 1 -2.368 -1.835 -0.695 0.00 0.00 +0.167 C BRANCH 30 31 ATOM 31 C LIG 1 -3.783 -2.344 -0.501 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -4.027 -3.572 0.134 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -5.332 -4.031 0.317 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.408 -3.270 -0.134 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.181 -2.051 -0.770 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.876 -1.590 -0.955 0.00 0.00 +0.006 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 O LIG 1 -1.633 -2.874 -1.359 0.00 0.00 -0.385 OA ATOM 38 H LIG 1 -2.205 -3.225 -2.066 0.00 0.00 +0.210 HD ENDBRANCH 30 37 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 8