REMARK Name = BDB008287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.316 -0.325 -1.128 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.187 0.963 -1.505 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.103 1.907 -0.544 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.148 1.600 0.805 0.00 0.00 +0.054 A ATOM 5 C LIG 1 0.274 0.262 1.203 0.00 0.00 +0.009 A ATOM 6 C LIG 1 0.365 -0.713 0.201 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 0.353 -0.089 2.630 0.00 0.00 +0.097 A ATOM 8 C LIG 1 -0.326 -1.139 3.233 0.00 0.00 +0.096 A ATOM 9 C LIG 1 -0.026 -1.395 4.569 0.00 0.00 +0.069 A ATOM 10 C LIG 1 -0.794 -2.570 4.950 0.00 0.00 +0.275 A ATOM 11 N LIG 1 -1.593 -2.884 3.857 0.00 0.00 -0.252 N ATOM 12 C LIG 1 -1.988 -4.249 3.592 0.00 0.00 +0.174 C ATOM 13 O LIG 1 -0.675 -3.154 6.012 0.00 0.00 -0.266 OA ATOM 14 C LIG 1 0.866 -0.663 5.319 0.00 0.00 +0.035 A ATOM 15 C LIG 1 1.459 0.386 4.652 0.00 0.00 +0.112 A ATOM 16 N LIG 1 -1.289 -2.045 2.718 0.00 0.00 -0.282 N ATOM 17 C LIG 1 -2.483 -1.368 2.194 0.00 0.00 +0.171 C ATOM 18 N LIG 1 1.224 0.686 3.347 0.00 0.00 -0.253 NA ENDBRANCH 5 7 BRANCH 1 20 ATOM 19 C LIG 1 0.440 -2.576 -2.201 0.00 0.00 +0.235 C ATOM 20 N LIG 1 0.407 -1.200 -2.211 0.00 0.00 -0.269 N ATOM 21 H LIG 1 0.382 -0.707 -3.093 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 0.295 -3.276 -1.200 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 0.587 -3.201 -3.619 0.00 0.00 +0.137 C ATOM 24 C LIG 1 1.742 -2.603 -4.425 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 1.937 -5.202 -3.082 0.00 0.00 +0.101 C ATOM 26 N LIG 1 0.649 -4.683 -3.536 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 -0.053 -4.969 -2.846 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 3 28 ATOM 28 N LIG 1 -0.027 3.199 -1.046 0.00 0.00 -0.265 N ATOM 29 H LIG 1 -0.020 3.258 -2.060 0.00 0.00 +0.157 HD ATOM 30 C LIG 1 -0.155 4.386 -0.366 0.00 0.00 +0.268 C ATOM 31 O LIG 1 -0.204 4.541 0.848 0.00 0.00 -0.268 OA BRANCH 30 32 ATOM 32 C LIG 1 -0.254 5.574 -1.278 0.00 0.00 +0.126 A ATOM 33 N LIG 1 -0.232 5.309 -2.617 0.00 0.00 -0.249 NA ATOM 34 C LIG 1 -0.326 6.382 -3.442 0.00 0.00 +0.131 A ATOM 35 C LIG 1 -0.438 7.694 -2.999 0.00 0.00 +0.059 A ATOM 36 CL LIG 1 -0.565 8.991 -4.114 0.00 0.00 -0.082 Cl ATOM 37 C LIG 1 -0.456 7.933 -1.629 0.00 0.00 +0.024 A ATOM 38 C LIG 1 -0.359 6.856 -0.748 0.00 0.00 +0.034 A ENDBRANCH 30 32 ENDBRANCH 3 28 TORSDOF 6