REMARK Name = BDB026540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.603 1.627 -0.405 0.00 0.00 +0.076 C ATOM 2 C LIG 1 -1.135 1.133 0.964 0.00 0.00 +0.037 C ATOM 3 C LIG 1 -2.481 0.392 0.847 0.00 0.00 +0.055 C ATOM 4 C LIG 1 -2.974 0.031 2.253 0.00 0.00 +0.024 C ATOM 5 N LIG 1 -3.523 1.180 0.162 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -3.036 2.464 -0.352 0.00 0.00 +0.086 C ATOM 7 C LIG 1 -1.759 2.328 -1.182 0.00 0.00 +0.034 C ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 0.523 2.643 -0.223 0.00 0.00 +0.311 C ATOM 9 O LIG 1 0.930 3.424 -1.071 0.00 0.00 -0.250 OA BRANCH 8 10 ATOM 10 O LIG 1 1.110 2.614 0.989 0.00 0.00 -0.480 OA ATOM 11 H LIG 1 1.866 3.232 0.895 0.00 0.00 +0.295 HD ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 12 ATOM 12 C LIG 1 -0.048 0.473 -1.285 0.00 0.00 +0.076 C BRANCH 12 15 ATOM 13 C LIG 1 3.442 -0.343 -0.365 0.00 0.00 +0.124 A ATOM 14 N LIG 1 2.351 0.291 -0.858 0.00 0.00 -0.234 NA ATOM 15 C LIG 1 1.127 -0.281 -0.714 0.00 0.00 +0.079 A ATOM 16 C LIG 1 0.957 -1.498 -0.072 0.00 0.00 +0.145 A ATOM 17 F LIG 1 -0.257 -2.046 0.068 0.00 0.00 -0.204 F ATOM 18 C LIG 1 2.063 -2.142 0.451 0.00 0.00 +0.043 A ATOM 19 C LIG 1 3.320 -1.554 0.308 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 20 N LIG 1 4.641 0.330 -0.564 0.00 0.00 -0.283 N ATOM 21 H LIG 1 4.433 1.240 -0.961 0.00 0.00 +0.155 HD BRANCH 20 27 ATOM 22 C LIG 1 9.058 -1.921 -0.112 0.00 0.00 +0.065 C ATOM 23 C LIG 1 7.903 -1.009 -0.248 0.00 0.00 +0.035 A ATOM 24 N LIG 1 8.045 0.343 -0.371 0.00 0.00 -0.280 N ATOM 25 H LIG 1 8.902 0.886 -0.382 0.00 0.00 +0.189 HD ATOM 26 N LIG 1 6.883 0.993 -0.512 0.00 0.00 -0.158 NA ATOM 27 C LIG 1 5.948 0.041 -0.443 0.00 0.00 +0.146 A ATOM 28 C LIG 1 6.545 -1.234 -0.303 0.00 0.00 +0.068 A ENDBRANCH 20 27 ENDBRANCH 13 20 ENDBRANCH 12 15 ENDBRANCH 1 12 BRANCH 5 29 ATOM 29 C LIG 1 -4.247 0.422 -0.880 0.00 0.00 +0.122 C BRANCH 29 30 ATOM 30 C LIG 1 -5.173 -0.648 -0.335 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -4.909 -2.021 -0.505 0.00 0.00 +0.047 A ATOM 32 CL LIG 1 -3.532 -2.606 -1.377 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 -5.768 -2.996 0.019 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -6.912 -2.626 0.718 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -7.204 -1.277 0.885 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -6.348 -0.297 0.363 0.00 0.00 +0.047 A ATOM 37 CL LIG 1 -6.827 1.350 0.603 0.00 0.00 -0.083 Cl ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8