REMARK Name = BDB005262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.442 -0.428 -0.632 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.629 0.559 -0.065 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.609 0.002 0.009 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.979 0.368 0.421 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.650 -0.955 0.201 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.793 -1.918 -0.400 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -2.051 -3.048 -0.781 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.511 -1.261 -0.476 0.00 0.00 +0.150 A ATOM 9 N LIG 1 0.750 -1.541 -0.871 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.900 -1.263 0.813 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.128 -2.441 1.562 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.069 -3.461 1.894 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.414 -2.692 2.087 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.451 -1.778 1.928 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -6.213 -0.601 1.236 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -7.481 0.546 1.039 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.956 -0.343 0.687 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.525 1.514 -0.412 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -2.822 2.741 0.206 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -3.308 3.817 -0.543 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.499 3.676 -1.915 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -4.092 5.003 -2.835 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -3.210 2.470 -2.546 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.725 1.394 -1.800 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 26 ATOM 25 C LIG 1 3.862 -0.819 -0.090 0.00 0.00 +0.055 A ATOM 26 C LIG 1 2.866 -0.297 -0.928 0.00 0.00 +0.039 A ATOM 27 C LIG 1 3.269 0.326 -2.114 0.00 0.00 +0.018 A ATOM 28 C LIG 1 4.623 0.453 -2.406 0.00 0.00 +0.068 A ATOM 29 C LIG 1 5.537 -0.060 -1.506 0.00 0.00 +0.215 A ATOM 30 N LIG 1 5.190 -0.685 -0.362 0.00 0.00 -0.217 NA BRANCH 25 32 ATOM 31 C LIG 1 3.481 -3.092 0.896 0.00 0.00 +0.010 C ATOM 32 C LIG 1 3.542 -1.596 1.163 0.00 0.00 +0.053 C ENDBRANCH 25 32 BRANCH 29 33 ATOM 33 O LIG 1 6.870 0.099 -1.830 0.00 0.00 -0.480 OA ATOM 34 C LIG 1 7.747 -0.514 -0.890 0.00 0.00 +0.279 C ENDBRANCH 29 33 ENDBRANCH 1 26 BRANCH 2 35 ATOM 35 C LIG 1 0.962 1.908 0.377 0.00 0.00 +0.083 C ATOM 36 C LIG 1 1.130 2.883 -0.786 0.00 0.00 +0.030 C ATOM 37 C LIG 1 2.138 1.978 1.352 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 6