REMARK Name = BDB011375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.825 -1.226 -0.038 0.00 0.00 +0.054 A ATOM 2 N LIG 1 -1.016 -0.256 0.571 0.00 0.00 -0.339 N ATOM 3 C LIG 1 0.276 -0.580 0.267 0.00 0.00 +0.057 A ATOM 4 C LIG 1 1.641 -0.063 0.548 0.00 0.00 +0.161 C ATOM 5 N LIG 1 2.460 -1.118 -0.136 0.00 0.00 -0.239 N ATOM 6 C LIG 1 1.661 -2.133 -0.715 0.00 0.00 +0.255 C ATOM 7 O LIG 1 1.976 -3.167 -1.279 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.303 -1.739 -0.454 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.007 -2.157 -0.671 0.00 0.00 +0.041 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -4.109 -0.343 -0.799 0.00 0.00 +0.145 A ATOM 11 C LIG 1 -3.252 -1.172 0.050 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -3.815 -1.982 0.965 0.00 0.00 +0.084 A ATOM 13 C LIG 1 -5.285 -2.024 1.157 0.00 0.00 +0.252 A ATOM 14 O LIG 1 -5.753 -2.761 2.021 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -6.032 -1.198 0.325 0.00 0.00 -0.315 N ATOM 16 C LIG 1 -7.482 -1.193 0.444 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -5.443 -0.387 -0.630 0.00 0.00 +0.135 A BRANCH 10 19 ATOM 18 C LIG 1 -4.175 1.213 -2.622 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -3.422 0.416 -1.718 0.00 0.00 -0.493 OA ENDBRANCH 10 19 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 C LIG 1 3.853 -1.220 -0.037 0.00 0.00 +0.127 A ATOM 21 N LIG 1 4.721 -1.933 -0.843 0.00 0.00 -0.253 N ATOM 22 C LIG 1 4.495 -2.540 -2.135 0.00 0.00 +0.174 C ATOM 23 N LIG 1 6.007 -1.874 -0.421 0.00 0.00 -0.175 NA ATOM 24 C LIG 1 5.982 -1.039 0.617 0.00 0.00 +0.062 A ATOM 25 C LIG 1 7.233 -0.702 1.335 0.00 0.00 +0.067 C ATOM 26 C LIG 1 4.675 -0.584 0.878 0.00 0.00 +0.068 A ENDBRANCH 5 20 BRANCH 4 27 ATOM 27 C LIG 1 1.923 1.315 -0.024 0.00 0.00 -0.021 A ATOM 28 C LIG 1 2.433 2.329 0.806 0.00 0.00 +0.007 A ATOM 29 C LIG 1 2.708 3.600 0.295 0.00 0.00 +0.020 A ATOM 30 C LIG 1 2.479 3.870 -1.052 0.00 0.00 +0.041 A ATOM 31 CL LIG 1 2.812 5.437 -1.679 0.00 0.00 -0.084 Cl ATOM 32 C LIG 1 1.981 2.879 -1.894 0.00 0.00 +0.020 A ATOM 33 C LIG 1 1.706 1.608 -1.383 0.00 0.00 +0.007 A ENDBRANCH 4 27 BRANCH 2 34 ATOM 34 C LIG 1 -1.489 0.836 1.427 0.00 0.00 +0.081 C ATOM 35 C LIG 1 -0.765 0.904 2.773 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -1.489 2.187 0.716 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 5