REMARK Name = BDB007039 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.294 -1.171 0.399 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.775 -2.001 0.093 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.032 -1.764 -0.487 0.00 0.00 +0.058 A ATOM 4 C LIG 1 2.772 -2.943 -0.538 0.00 0.00 +0.070 A ATOM 5 N LIG 1 4.024 -3.062 -1.028 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 4.570 -1.922 -1.502 0.00 0.00 +0.115 A ATOM 7 C LIG 1 3.918 -0.686 -1.513 0.00 0.00 -0.023 A ATOM 8 C LIG 1 2.014 -4.108 0.060 0.00 0.00 +0.025 C ATOM 9 C LIG 1 1.869 -5.254 -0.943 0.00 0.00 +0.019 C ATOM 10 C LIG 1 2.696 -4.592 1.343 0.00 0.00 +0.019 C ATOM 11 C LIG 1 2.614 -0.617 -0.993 0.00 0.00 +0.030 A ATOM 12 C LIG 1 0.653 -3.445 0.362 0.00 0.00 +0.126 C ATOM 13 O LIG 1 -1.338 -1.665 0.842 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.139 0.340 0.167 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -1.554 5.011 0.899 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -2.041 3.563 0.866 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -3.061 3.448 -0.196 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -3.982 3.508 0.241 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -2.969 2.156 -0.899 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.538 0.937 -0.030 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.255 1.162 0.705 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -0.852 2.587 0.689 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -3.646 0.553 1.001 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 N LIG 1 -4.941 0.185 0.396 0.00 0.00 -0.298 NA ATOM 25 C LIG 1 -5.981 -0.003 1.423 0.00 0.00 +0.121 C ATOM 26 C LIG 1 -7.010 -0.931 0.780 0.00 0.00 +0.181 C ATOM 27 F LIG 1 -7.225 -1.998 1.597 0.00 0.00 -0.244 F ATOM 28 C LIG 1 -6.363 -1.417 -0.506 0.00 0.00 +0.053 C ATOM 29 C LIG 1 -4.890 -1.102 -0.309 0.00 0.00 +0.087 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 30 ATOM 30 C LIG 1 4.604 0.544 -2.051 0.00 0.00 +0.074 C BRANCH 30 31 ATOM 31 C LIG 1 5.052 1.497 -0.971 0.00 0.00 -0.008 A ATOM 32 C LIG 1 4.255 2.588 -0.608 0.00 0.00 +0.127 A ATOM 33 F LIG 1 3.084 2.794 -1.230 0.00 0.00 -0.205 F ATOM 34 C LIG 1 4.641 3.466 0.400 0.00 0.00 +0.038 A ATOM 35 C LIG 1 5.844 3.259 1.070 0.00 0.00 +0.003 A ATOM 36 C LIG 1 6.651 2.172 0.730 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.258 1.293 -0.284 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 6