REMARK Name = BDB006416 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.888 1.179 -4.373 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.211 1.181 -2.919 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.575 0.394 -1.909 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.185 0.695 -0.689 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.796 0.067 0.508 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.241 -0.871 0.463 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.880 -1.172 -0.741 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.164 1.640 -0.948 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.469 -0.556 -1.931 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.180 1.952 -2.294 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.126 2.943 -2.885 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.988 -2.165 -0.810 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -2.771 -2.276 0.322 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -2.725 -1.523 0.993 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.178 -2.806 -1.837 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.001 -3.054 0.314 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.117 -3.855 1.612 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.179 -2.129 0.048 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -5.807 -1.389 1.069 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.880 -0.516 0.808 0.00 0.00 -0.042 A ATOM 21 C LIG 1 -7.302 -0.394 -0.529 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -6.679 -1.103 -1.557 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.622 -1.960 -1.270 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -7.582 0.295 1.913 0.00 0.00 -0.013 C ATOM 25 C LIG 1 -7.445 1.804 1.615 0.00 0.00 +0.015 C ATOM 26 C LIG 1 -7.009 0.055 3.328 0.00 0.00 +0.015 C ATOM 27 C LIG 1 -9.080 -0.080 1.960 0.00 0.00 +0.015 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 3.017 2.253 0.072 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 4.430 1.719 0.079 0.00 0.00 -0.028 A ATOM 30 C LIG 1 4.711 0.351 -0.031 0.00 0.00 +0.006 A ATOM 31 C LIG 1 6.030 -0.114 0.012 0.00 0.00 +0.009 A ATOM 32 C LIG 1 7.108 0.768 0.181 0.00 0.00 -0.018 A ATOM 33 C LIG 1 6.819 2.135 0.307 0.00 0.00 +0.009 A ATOM 34 C LIG 1 5.502 2.605 0.263 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 8.495 0.275 0.225 0.00 0.00 -0.018 A ATOM 36 C LIG 1 8.871 -0.754 1.104 0.00 0.00 +0.008 A ATOM 37 C LIG 1 10.187 -1.224 1.143 0.00 0.00 +0.001 A ATOM 38 C LIG 1 11.150 -0.672 0.303 0.00 0.00 +0.000 A ATOM 39 C LIG 1 10.799 0.350 -0.576 0.00 0.00 +0.001 A ATOM 40 C LIG 1 9.483 0.818 -0.614 0.00 0.00 +0.008 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 7