REMARK Name = BDB065029 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.898 -0.222 0.835 0.00 0.00 -0.016 A ATOM 2 C LIG 1 2.089 0.836 0.645 0.00 0.00 +0.102 A ATOM 3 N LIG 1 0.756 0.630 0.422 0.00 0.00 -0.250 N ATOM 4 C LIG 1 0.151 -0.586 0.376 0.00 0.00 +0.174 A ATOM 5 N LIG 1 -1.124 -0.543 0.151 0.00 0.00 -0.143 NA ATOM 6 N LIG 1 -1.410 0.809 0.036 0.00 0.00 -0.180 N ATOM 7 C LIG 1 1.002 -1.773 0.581 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -0.230 1.573 0.203 0.00 0.00 +0.356 A ATOM 9 O LIG 1 -0.072 2.785 0.169 0.00 0.00 -0.244 OA ATOM 10 C LIG 1 2.316 -1.563 0.802 0.00 0.00 +0.022 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.731 1.237 -0.211 0.00 0.00 +0.071 A ATOM 12 C LIG 1 -3.767 0.291 -0.328 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -5.111 0.656 -0.568 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -5.383 2.024 -0.720 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.367 2.977 -0.604 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.053 2.587 -0.347 0.00 0.00 +0.028 A BRANCH 13 17 ATOM 17 C LIG 1 -6.198 -0.432 -0.683 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -7.648 0.096 -0.757 0.00 0.00 +0.108 C ATOM 19 C LIG 1 -8.085 0.747 0.534 0.00 0.00 +0.220 C ATOM 20 O LIG 1 -8.929 1.639 0.563 0.00 0.00 -0.275 OA ATOM 21 N LIG 1 -7.531 0.255 1.685 0.00 0.00 -0.256 N ATOM 22 H LIG 1 -7.826 0.689 2.548 0.00 0.00 +0.157 HD ATOM 23 C LIG 1 -6.596 -0.740 1.799 0.00 0.00 +0.220 C ATOM 24 O LIG 1 -6.194 -1.108 2.899 0.00 0.00 -0.275 OA ATOM 25 C LIG 1 -6.168 -1.410 0.515 0.00 0.00 +0.108 C ATOM 26 C LIG 1 -5.931 -1.229 -1.981 0.00 0.00 +0.017 C ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 7 27 ATOM 27 C LIG 1 0.321 -3.086 0.515 0.00 0.00 +0.421 C ATOM 28 F LIG 1 -0.260 -3.310 -0.691 0.00 0.00 -0.166 F ATOM 29 F LIG 1 1.187 -4.117 0.713 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.643 -3.218 1.460 0.00 0.00 -0.166 F ENDBRANCH 7 27 BRANCH 1 31 ATOM 31 C LIG 1 4.383 -0.085 1.097 0.00 0.00 +0.121 C BRANCH 31 35 ATOM 32 C LIG 1 8.867 0.063 0.983 0.00 0.00 +0.009 C ATOM 33 C LIG 1 7.426 0.331 0.548 0.00 0.00 +0.000 C ATOM 34 C LIG 1 6.598 -0.967 0.584 0.00 0.00 +0.088 C ATOM 35 N LIG 1 5.210 -0.807 0.119 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 5.184 -0.213 -1.227 0.00 0.00 +0.085 C ATOM 37 C LIG 1 5.957 1.102 -1.348 0.00 0.00 +0.016 C ATOM 38 C LIG 1 7.392 0.949 -0.854 0.00 0.00 +0.006 C ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 5