REMARK Name = BDB009759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.273 0.934 1.209 0.00 0.00 -0.285 N ATOM 2 C LIG 1 -0.708 -0.052 0.676 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.044 0.279 -0.808 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.543 1.731 -0.969 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -1.170 2.717 0.160 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -2.272 2.828 1.237 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.127 2.287 0.865 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.965 3.139 1.174 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.465 -1.541 0.933 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.314 -2.340 0.082 0.00 0.00 +0.007 A ATOM 11 C LIG 1 0.443 -3.716 0.296 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.207 -4.313 1.371 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -0.044 -6.004 1.640 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.991 -3.548 2.228 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.124 -2.174 2.006 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.039 -0.660 -1.487 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -1.707 -1.250 -2.718 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -2.599 -2.116 -3.350 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -2.167 -2.839 -4.851 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -3.835 -2.401 -2.775 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.183 -1.812 -1.561 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.293 -0.945 -0.922 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.589 0.571 1.823 0.00 0.00 +0.125 C BRANCH 23 24 ATOM 24 C LIG 1 2.709 0.316 0.807 0.00 0.00 +0.062 A ATOM 25 N LIG 1 2.382 -0.002 -0.473 0.00 0.00 -0.255 NA ATOM 26 C LIG 1 3.381 -0.182 -1.371 0.00 0.00 +0.039 A ATOM 27 C LIG 1 2.990 -0.532 -2.775 0.00 0.00 +0.065 C ATOM 28 C LIG 1 4.723 -0.058 -1.035 0.00 0.00 +0.023 A ATOM 29 C LIG 1 5.054 0.276 0.271 0.00 0.00 +0.004 A ATOM 30 C LIG 1 4.040 0.472 1.201 0.00 0.00 +0.025 A ENDBRANCH 23 24 BRANCH 23 32 ATOM 31 C LIG 1 2.293 -1.633 3.068 0.00 0.00 +0.006 C ATOM 32 C LIG 1 1.508 -0.329 3.083 0.00 0.00 +0.025 C ENDBRANCH 23 32 ENDBRANCH 1 23 BRANCH 5 33 ATOM 33 C LIG 1 -0.923 4.133 -0.444 0.00 0.00 +0.136 C BRANCH 33 34 ATOM 34 C LIG 1 -2.062 4.719 -1.239 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -3.184 4.269 -1.388 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -1.717 5.886 -1.818 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -2.526 6.169 -2.294 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 8