REMARK Name = BDB007194 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.128 0.297 -0.329 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -3.440 -0.557 -1.395 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -2.455 -1.438 -1.855 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -1.191 -1.482 -1.244 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -0.127 -2.433 -1.704 0.00 0.00 +0.132 C ATOM 6 C LIG 1 1.293 -1.913 -1.513 0.00 0.00 +0.225 C ATOM 7 N LIG 1 1.520 -1.015 -0.451 0.00 0.00 -0.260 N ATOM 8 C LIG 1 0.441 -0.800 0.541 0.00 0.00 +0.142 C ATOM 9 O LIG 1 2.163 -2.361 -2.260 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -0.909 -0.667 -0.147 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -1.886 0.225 0.304 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 0.418 -1.834 1.676 0.00 0.00 -0.022 A ATOM 13 C LIG 1 1.121 -3.049 1.620 0.00 0.00 +0.007 A ATOM 14 C LIG 1 1.052 -3.971 2.668 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.287 -3.689 3.794 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 0.199 -4.832 5.071 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -0.403 -2.484 3.889 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.334 -1.564 2.840 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 2.818 -0.411 -0.217 0.00 0.00 +0.037 A ATOM 20 C LIG 1 3.784 -0.323 -1.228 0.00 0.00 +0.025 A ATOM 21 C LIG 1 5.044 0.254 -1.006 0.00 0.00 +0.029 A ATOM 22 C LIG 1 5.365 0.782 0.247 0.00 0.00 +0.065 A ATOM 23 C LIG 1 4.410 0.725 1.267 0.00 0.00 +0.029 A ATOM 24 C LIG 1 3.163 0.134 1.036 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 6.640 1.357 0.509 0.00 0.00 -0.240 N ATOM 26 N LIG 1 6.934 1.865 1.736 0.00 0.00 -0.175 NA ATOM 27 C LIG 1 8.207 2.249 1.647 0.00 0.00 +0.135 A ATOM 28 C LIG 1 8.749 2.021 0.377 0.00 0.00 +0.041 A ATOM 29 C LIG 1 7.715 1.476 -0.343 0.00 0.00 +0.114 A ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 30 ATOM 30 O LIG 1 -4.709 -0.471 -1.900 0.00 0.00 -0.491 OA ATOM 31 C LIG 1 -5.079 -1.395 -2.915 0.00 0.00 +0.277 C ENDBRANCH 2 30 BRANCH 1 32 ATOM 32 O LIG 1 -4.028 1.169 0.227 0.00 0.00 -0.485 OA BRANCH 32 33 ATOM 33 C LIG 1 -4.431 2.233 -0.658 0.00 0.00 +0.170 C ATOM 34 C LIG 1 -3.636 3.477 -0.274 0.00 0.00 +0.052 C BRANCH 33 36 ATOM 35 C LIG 1 -6.562 3.491 -1.329 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -5.939 2.411 -0.457 0.00 0.00 +0.041 C ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 7