REMARK Name = BDB008617 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.995 0.365 0.218 0.00 0.00 +0.163 A ATOM 2 C LIG 1 2.793 0.143 1.341 0.00 0.00 +0.176 A ATOM 3 C LIG 1 2.656 -0.965 2.168 0.00 0.00 +0.024 A ATOM 4 C LIG 1 3.642 -0.816 3.180 0.00 0.00 +0.050 A ATOM 5 C LIG 1 4.309 0.356 2.905 0.00 0.00 +0.196 A ATOM 6 C LIG 1 1.667 -1.920 1.861 0.00 0.00 +0.017 A ATOM 7 C LIG 1 0.840 -1.738 0.729 0.00 0.00 -0.023 A ATOM 8 O LIG 1 3.801 0.946 1.791 0.00 0.00 -0.459 OA ATOM 9 C LIG 1 1.039 -0.606 -0.088 0.00 0.00 +0.055 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -0.248 -2.737 0.331 0.00 0.00 +0.104 C ATOM 11 C LIG 1 -0.309 -4.038 1.145 0.00 0.00 +0.033 C BRANCH 10 12 ATOM 12 N LIG 1 -1.586 -2.093 0.244 0.00 0.00 -0.289 N ATOM 13 C LIG 1 -2.174 -2.003 -1.029 0.00 0.00 +0.246 C ATOM 14 O LIG 1 -1.558 -2.305 -2.058 0.00 0.00 -0.273 OA BRANCH 13 15 ATOM 15 C LIG 1 -3.628 -1.488 -1.129 0.00 0.00 +0.217 C ATOM 16 O LIG 1 -4.403 -2.333 -2.007 0.00 0.00 -0.365 OA ATOM 17 C LIG 1 -4.563 -1.762 -3.309 0.00 0.00 +0.176 C ATOM 18 C LIG 1 -5.315 -0.421 -3.219 0.00 0.00 +0.109 C ATOM 19 N LIG 1 -4.890 0.459 -2.106 0.00 0.00 -0.311 NA ATOM 20 H LIG 1 -5.584 0.365 -1.361 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -3.593 -0.007 -1.581 0.00 0.00 +0.122 C ENDBRANCH 13 15 BRANCH 12 22 ATOM 22 C LIG 1 -2.339 -1.894 1.467 0.00 0.00 +0.077 C ATOM 23 C LIG 1 -1.779 -1.274 2.723 0.00 0.00 +0.024 C ATOM 24 C LIG 1 -2.774 -0.516 1.905 0.00 0.00 +0.024 C ENDBRANCH 12 22 ENDBRANCH 10 12 ENDBRANCH 7 10 BRANCH 1 25 ATOM 25 O LIG 1 2.170 1.424 -0.639 0.00 0.00 -0.488 OA BRANCH 25 26 ATOM 26 C LIG 1 1.701 2.642 -0.045 0.00 0.00 +0.231 C BRANCH 26 27 ATOM 27 C LIG 1 2.413 3.816 -0.702 0.00 0.00 +0.069 C BRANCH 27 28 ATOM 28 C LIG 1 3.916 3.780 -0.446 0.00 0.00 +0.163 C BRANCH 28 30 ATOM 29 C LIG 1 5.908 4.944 -0.913 0.00 0.00 +0.193 C ATOM 30 O LIG 1 4.489 4.964 -1.003 0.00 0.00 -0.383 OA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 9