REMARK Name = BDB065091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.395 1.931 -1.201 0.00 0.00 +0.162 A ATOM 2 C LIG 1 2.660 1.330 -1.113 0.00 0.00 +0.164 A ATOM 3 C LIG 1 2.751 -0.039 -0.842 0.00 0.00 +0.078 A ATOM 4 C LIG 1 1.624 -0.835 -0.681 0.00 0.00 +0.081 A ATOM 5 C LIG 1 0.357 -0.251 -0.801 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.739 -1.123 -0.643 0.00 0.00 +0.131 A ATOM 7 N LIG 1 -0.576 -2.424 -0.357 0.00 0.00 -0.203 NA ATOM 8 C LIG 1 0.685 -2.865 -0.252 0.00 0.00 +0.234 A ATOM 9 N LIG 1 1.797 -2.131 -0.414 0.00 0.00 -0.218 NA ATOM 10 C LIG 1 0.254 1.140 -1.052 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 0.136 3.959 -1.313 0.00 0.00 +0.277 C ATOM 12 O LIG 1 1.376 3.279 -1.453 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 8 13 ATOM 13 C LIG 1 0.862 -4.261 0.050 0.00 0.00 +0.140 C ATOM 14 N LIG 1 1.003 -5.391 0.291 0.00 0.00 -0.188 NA ENDBRANCH 8 13 BRANCH 6 15 ATOM 15 N LIG 1 -2.047 -0.612 -0.778 0.00 0.00 -0.326 N ATOM 16 H LIG 1 -2.116 -0.183 -1.699 0.00 0.00 +0.148 HD BRANCH 15 17 ATOM 17 C LIG 1 -3.169 -1.534 -0.520 0.00 0.00 +0.074 C ATOM 18 C LIG 1 -4.448 -0.977 -1.163 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -5.005 0.229 -0.403 0.00 0.00 +0.086 C ATOM 20 N LIG 1 -5.216 -0.007 1.030 0.00 0.00 -0.298 NA ATOM 21 C LIG 1 -3.978 -0.493 1.654 0.00 0.00 +0.086 C ATOM 22 C LIG 1 -3.386 -1.736 0.985 0.00 0.00 +0.037 C BRANCH 20 23 ATOM 23 C LIG 1 -6.364 -0.878 1.328 0.00 0.00 +0.119 C BRANCH 23 24 ATOM 24 C LIG 1 -7.699 -0.265 0.958 0.00 0.00 -0.033 A ATOM 25 C LIG 1 -8.575 -0.930 0.087 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -9.810 -0.368 -0.240 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -10.184 0.861 0.299 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -9.325 1.531 1.168 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -8.090 0.970 1.497 0.00 0.00 +0.005 A ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 15 17 ENDBRANCH 6 15 BRANCH 2 30 ATOM 30 O LIG 1 3.735 2.167 -1.269 0.00 0.00 -0.488 OA BRANCH 30 31 ATOM 31 C LIG 1 5.040 1.613 -1.433 0.00 0.00 +0.230 C BRANCH 31 32 ATOM 32 C LIG 1 5.747 1.493 -0.084 0.00 0.00 +0.056 C BRANCH 32 33 ATOM 33 C LIG 1 7.147 0.894 -0.255 0.00 0.00 +0.087 C BRANCH 33 34 ATOM 34 N LIG 1 7.873 0.835 1.024 0.00 0.00 -0.302 NA ATOM 35 C LIG 1 7.418 -0.266 1.889 0.00 0.00 +0.084 C ATOM 36 C LIG 1 8.187 -1.504 1.446 0.00 0.00 +0.017 C ATOM 37 C LIG 1 9.403 -0.972 0.702 0.00 0.00 +0.017 C ATOM 38 C LIG 1 9.301 0.541 0.817 0.00 0.00 +0.084 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 11