REMARK Name = BDB030958 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.602 1.601 1.303 0.00 0.00 +0.090 A ATOM 2 C LIG 1 1.116 2.875 1.221 0.00 0.00 +0.099 A ATOM 3 C LIG 1 2.448 2.929 0.881 0.00 0.00 +0.129 A ATOM 4 N LIG 1 3.207 1.844 0.633 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 2.617 0.649 0.730 0.00 0.00 +0.216 A ATOM 6 N LIG 1 1.331 0.490 1.049 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.125 -0.597 -0.071 0.00 0.00 +0.042 A ATOM 8 C LIG 1 -4.158 0.031 1.204 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -2.949 0.612 1.653 0.00 0.00 +0.052 A ATOM 10 C LIG 1 -1.780 0.640 0.891 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -0.781 1.326 1.650 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -1.345 1.652 2.866 0.00 0.00 +0.093 A ATOM 13 C LIG 1 -1.795 0.046 -0.383 0.00 0.00 +0.012 A ATOM 14 N LIG 1 -2.646 1.226 2.852 0.00 0.00 -0.360 N ATOM 15 H LIG 1 -3.299 1.330 3.616 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 -2.963 -0.572 -0.845 0.00 0.00 +0.024 A BRANCH 7 18 ATOM 17 C LIG 1 -5.534 -1.918 -1.671 0.00 0.00 +0.404 C ATOM 18 N LIG 1 -5.295 -1.254 -0.504 0.00 0.00 -0.251 N ATOM 19 H LIG 1 -6.087 -1.260 0.122 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 -4.780 -2.086 -2.617 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 -7.205 -3.114 -2.795 0.00 0.00 +0.282 C ATOM 22 O LIG 1 -6.810 -2.391 -1.627 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 C LIG 1 -5.350 0.081 2.132 0.00 0.00 +0.023 C ATOM 24 C LIG 1 -6.664 0.668 1.661 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -5.853 1.401 2.679 0.00 0.00 +0.009 C ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 C LIG 1 0.338 4.112 1.469 0.00 0.00 +0.421 C ATOM 27 F LIG 1 1.005 5.240 1.080 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -0.850 4.162 0.807 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.053 4.309 2.786 0.00 0.00 -0.166 F ENDBRANCH 2 26 BRANCH 5 30 ATOM 30 N LIG 1 3.321 -0.522 0.499 0.00 0.00 -0.309 N ATOM 31 H LIG 1 2.601 -1.228 0.370 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 4.332 -0.458 -0.557 0.00 0.00 +0.087 C ATOM 33 C LIG 1 4.440 -1.840 -1.252 0.00 0.00 +0.103 C ATOM 34 N LIG 1 5.509 -1.900 -2.256 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 5.532 -2.834 -2.665 0.00 0.00 +0.122 HD ATOM 36 C LIG 1 6.814 -1.594 -1.659 0.00 0.00 +0.051 C ATOM 37 C LIG 1 7.887 -1.667 -2.744 0.00 0.00 +0.024 C ATOM 38 C LIG 1 6.801 -0.205 -1.007 0.00 0.00 +0.020 C ATOM 39 C LIG 1 5.696 -0.088 0.042 0.00 0.00 +0.025 C ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 7