REMARK Name = BDB009770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.920 -0.879 0.174 0.00 0.00 -0.288 N ATOM 2 C LIG 1 -0.546 0.558 0.208 0.00 0.00 +0.114 C ATOM 3 C LIG 1 0.973 0.843 0.332 0.00 0.00 +0.045 C ATOM 4 C LIG 1 1.613 -0.146 1.305 0.00 0.00 +0.026 C ATOM 5 C LIG 1 1.408 -1.594 0.854 0.00 0.00 +0.047 C ATOM 6 C LIG 1 1.929 -2.520 1.978 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.099 -1.878 0.702 0.00 0.00 +0.222 C ATOM 8 O LIG 1 -0.526 -3.015 0.925 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.101 1.312 -1.006 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -1.824 2.503 -0.826 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -2.324 3.203 -1.927 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.103 2.718 -3.214 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -2.722 3.580 -4.569 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.385 1.542 -3.412 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.883 0.843 -2.313 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 1.285 2.278 0.752 0.00 0.00 -0.041 A ATOM 17 C LIG 1 0.842 2.810 1.974 0.00 0.00 +0.024 A ATOM 18 C LIG 1 1.137 4.131 2.317 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 0.575 4.768 3.813 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 1.877 4.938 1.457 0.00 0.00 +0.020 A ATOM 21 C LIG 1 2.328 4.420 0.245 0.00 0.00 +0.002 A ATOM 22 C LIG 1 2.036 3.100 -0.104 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 -2.385 -1.196 0.069 0.00 0.00 +0.105 C BRANCH 23 25 ATOM 24 C LIG 1 -3.799 -2.119 -1.861 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -2.615 -2.357 -0.930 0.00 0.00 +0.022 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 -3.035 -1.407 1.476 0.00 0.00 +0.132 C ATOM 27 C LIG 1 -4.507 -1.803 1.440 0.00 0.00 +0.039 C BRANCH 26 28 ATOM 28 O LIG 1 -2.941 -0.185 2.232 0.00 0.00 -0.390 OA ATOM 29 H LIG 1 -3.553 0.456 1.832 0.00 0.00 +0.210 HD ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 30 ATOM 30 C LIG 1 2.047 -1.972 -0.518 0.00 0.00 +0.049 C BRANCH 30 31 ATOM 31 C LIG 1 3.512 -1.637 -0.829 0.00 0.00 +0.141 C BRANCH 31 32 ATOM 32 O LIG 1 3.692 -0.223 -0.932 0.00 0.00 -0.389 OA ATOM 33 H LIG 1 4.660 -0.077 -0.929 0.00 0.00 +0.210 HD ENDBRANCH 31 32 BRANCH 31 34 ATOM 34 C LIG 1 4.560 -2.202 0.130 0.00 0.00 +0.187 C BRANCH 34 35 ATOM 35 O LIG 1 5.860 -1.966 -0.424 0.00 0.00 -0.392 OA ATOM 36 H LIG 1 5.984 -2.601 -1.153 0.00 0.00 +0.210 HD ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 11