REMARK Name = BDB061253 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.240 0.548 -2.476 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.448 0.785 -1.794 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -3.444 1.585 -2.365 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -4.682 1.813 -1.608 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -4.789 1.183 -0.287 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -3.768 0.438 0.156 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -5.588 2.505 -2.060 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -3.257 2.145 -3.631 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -2.078 1.911 -4.327 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -2.607 0.200 -0.558 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -1.085 1.123 -3.750 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -3.811 -0.231 1.470 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -3.403 -1.569 1.587 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -3.424 -2.213 2.826 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -3.846 -1.522 3.955 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -4.247 -0.194 3.867 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -4.228 0.450 2.626 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -3.848 -2.190 5.143 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -4.160 -1.589 5.839 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -4.193 2.933 -4.246 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -4.971 3.013 -3.650 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 0.059 0.948 -4.480 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 0.742 0.600 -3.866 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -0.187 -0.375 -1.890 0.00 0.00 +0.127 C BRANCH 24 30 ATOM 25 O LIG 1 5.151 1.603 0.764 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 4.496 0.564 0.751 0.00 0.00 +0.248 C ATOM 27 N LIG 1 3.379 0.379 -0.058 0.00 0.00 -0.295 N ATOM 28 C LIG 1 2.772 -0.921 -0.370 0.00 0.00 +0.123 C ATOM 29 C LIG 1 2.183 -0.958 -1.794 0.00 0.00 +0.104 C ATOM 30 N LIG 1 1.198 0.105 -2.103 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 1.455 1.334 -1.299 0.00 0.00 +0.104 C ATOM 32 C LIG 1 2.921 1.509 -0.868 0.00 0.00 +0.123 C BRANCH 26 33 ATOM 33 C LIG 1 4.931 -0.529 1.637 0.00 0.00 +0.055 A ATOM 34 C LIG 1 4.054 -1.124 2.532 0.00 0.00 +0.123 A ATOM 35 N LIG 1 4.405 -2.130 3.370 0.00 0.00 -0.263 NA ATOM 36 C LIG 1 5.698 -2.526 3.332 0.00 0.00 +0.111 A ATOM 37 C LIG 1 6.654 -1.966 2.496 0.00 0.00 +0.020 A ATOM 38 C LIG 1 6.262 -0.944 1.636 0.00 0.00 +0.016 A ENDBRANCH 26 33 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 7