REMARK Name = BDB005487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.222 0.875 0.753 0.00 0.00 +0.146 A ATOM 2 N LIG 1 1.394 -0.256 0.653 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.138 0.239 0.474 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.264 -0.224 0.328 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -1.963 1.101 0.327 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.064 2.199 0.412 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.292 3.398 0.428 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.240 1.593 0.517 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.518 2.000 0.686 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 4.589 0.349 -0.078 0.00 0.00 +0.147 A ATOM 11 C LIG 1 3.631 0.748 0.945 0.00 0.00 +0.066 A ATOM 12 C LIG 1 4.092 1.081 2.165 0.00 0.00 +0.085 A ATOM 13 C LIG 1 5.536 0.976 2.500 0.00 0.00 +0.252 A ATOM 14 O LIG 1 5.908 1.269 3.633 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 6.369 0.521 1.482 0.00 0.00 -0.315 N ATOM 16 C LIG 1 7.795 0.388 1.732 0.00 0.00 +0.152 C ATOM 17 C LIG 1 5.888 0.221 0.221 0.00 0.00 +0.135 A BRANCH 10 19 ATOM 18 C LIG 1 4.018 1.198 -2.152 0.00 0.00 +0.277 C ATOM 19 O LIG 1 4.099 0.032 -1.328 0.00 0.00 -0.493 OA ENDBRANCH 10 19 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 C LIG 1 -3.384 1.234 0.185 0.00 0.00 +0.080 A ATOM 21 C LIG 1 -4.302 0.247 0.617 0.00 0.00 +0.141 A ATOM 22 C LIG 1 -5.676 0.426 0.386 0.00 0.00 +0.048 A ATOM 23 C LIG 1 -6.157 1.576 -0.239 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -5.274 2.568 -0.655 0.00 0.00 -0.048 A ATOM 25 C LIG 1 -5.779 3.829 -1.291 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -3.902 2.392 -0.428 0.00 0.00 +0.030 A BRANCH 21 27 ATOM 27 O LIG 1 -3.805 -0.831 1.305 0.00 0.00 -0.493 OA ATOM 28 C LIG 1 -4.732 -1.711 1.931 0.00 0.00 +0.277 C ENDBRANCH 21 27 ENDBRANCH 5 20 BRANCH 4 29 ATOM 29 C LIG 1 -1.500 -1.009 -0.955 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -1.217 -0.461 -2.220 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -1.444 -1.196 -3.386 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -1.961 -2.486 -3.300 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -2.241 -3.393 -4.735 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -2.253 -3.047 -2.060 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -2.024 -2.312 -0.894 0.00 0.00 +0.007 A ENDBRANCH 4 29 BRANCH 2 36 ATOM 36 C LIG 1 1.801 -1.650 0.811 0.00 0.00 +0.083 C ATOM 37 C LIG 1 0.992 -2.386 1.881 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.806 -2.418 -0.509 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6