REMARK Name = BDB028073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.215 0.246 -1.299 0.00 0.00 +0.056 A ATOM 2 N LIG 1 -2.335 -0.467 -2.070 0.00 0.00 -0.255 NA ATOM 3 C LIG 1 -1.021 -0.545 -1.718 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -0.594 0.097 -0.577 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.756 0.172 0.040 0.00 0.00 +0.151 C ATOM 6 N LIG 1 0.536 0.988 1.231 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.799 1.386 1.333 0.00 0.00 +0.252 C ATOM 8 O LIG 1 -1.379 2.072 2.156 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.503 0.810 0.185 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -2.831 0.913 -0.146 0.00 0.00 +0.038 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.598 1.358 2.100 0.00 0.00 +0.037 A ATOM 12 C LIG 1 2.906 0.894 1.868 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.022 1.266 2.658 0.00 0.00 -0.035 A ATOM 14 C LIG 1 3.757 2.133 3.731 0.00 0.00 +0.004 A ATOM 15 C LIG 1 2.466 2.583 4.005 0.00 0.00 +0.002 A ATOM 16 C LIG 1 1.396 2.196 3.195 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.492 0.731 2.311 0.00 0.00 +0.049 C ATOM 18 C LIG 1 5.738 -0.805 2.499 0.00 0.00 +0.174 C ATOM 19 O LIG 1 7.084 -0.522 2.992 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 6.596 0.787 3.418 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 6.012 1.369 1.001 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 5.952 0.453 -0.174 0.00 0.00 +0.138 A ATOM 23 N LIG 1 7.023 -0.209 -0.721 0.00 0.00 -0.260 N ATOM 24 C LIG 1 6.527 -0.963 -1.739 0.00 0.00 +0.229 A ATOM 25 N LIG 1 5.227 -0.794 -1.815 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 4.864 0.092 -0.830 0.00 0.00 -0.134 NA BRANCH 23 27 ATOM 27 C LIG 1 8.397 -0.209 -0.279 0.00 0.00 +0.450 C ATOM 28 F LIG 1 9.198 -0.859 -1.166 0.00 0.00 -0.185 F ATOM 29 F LIG 1 8.881 1.055 -0.182 0.00 0.00 -0.185 F ENDBRANCH 23 27 ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 -0.096 -1.371 -2.575 0.00 0.00 +0.038 C ATOM 31 C LIG 1 -0.087 -1.169 -4.074 0.00 0.00 +0.010 C ATOM 32 C LIG 1 1.101 -0.752 -3.262 0.00 0.00 +0.010 C ENDBRANCH 3 30 BRANCH 1 33 ATOM 33 C LIG 1 -4.667 0.288 -1.752 0.00 0.00 +0.139 C BRANCH 33 37 ATOM 34 C LIG 1 -9.416 0.065 -0.356 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -8.024 -0.548 -0.234 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -6.977 0.260 -1.011 0.00 0.00 +0.088 C ATOM 37 N LIG 1 -5.613 -0.226 -0.742 0.00 0.00 -0.296 NA ATOM 38 C LIG 1 -5.523 -1.687 -0.575 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -6.664 -2.450 -1.244 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -8.023 -2.015 -0.693 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 8