REMARK Name = BDB006404 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.943 -0.242 -3.421 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.237 0.334 -2.242 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.634 0.224 -0.873 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.313 0.899 -0.100 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.217 0.961 1.302 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.868 0.334 1.921 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.839 -0.331 1.172 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.260 1.409 -0.972 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.722 -0.403 -0.224 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.931 1.083 -2.275 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.758 1.489 -3.448 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.969 -0.974 1.897 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.153 -1.091 1.204 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.263 -0.614 0.320 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 2.832 -1.336 3.061 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.352 -1.650 1.813 0.00 0.00 +0.101 C ATOM 17 C LIG 1 5.264 -3.182 1.835 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.582 -1.071 1.113 0.00 0.00 -0.020 A ATOM 19 C LIG 1 7.040 0.252 1.412 0.00 0.00 -0.013 A ATOM 20 C LIG 1 8.180 0.756 0.730 0.00 0.00 -0.018 A ATOM 21 C LIG 1 8.659 2.048 1.005 0.00 0.00 +0.008 A ATOM 22 C LIG 1 8.029 2.865 1.942 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.909 2.398 2.613 0.00 0.00 +0.001 A ATOM 24 C LIG 1 8.829 -0.032 -0.227 0.00 0.00 +0.008 A ATOM 25 C LIG 1 8.369 -1.307 -0.532 0.00 0.00 +0.001 A ATOM 26 C LIG 1 6.423 1.115 2.352 0.00 0.00 +0.009 A ATOM 27 C LIG 1 7.254 -1.819 0.126 0.00 0.00 +0.006 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 -2.410 2.220 -0.568 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 -3.716 1.463 -0.616 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -3.876 0.233 0.036 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -5.104 -0.434 0.011 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -6.207 0.117 -0.656 0.00 0.00 -0.017 A ATOM 33 C LIG 1 -6.048 1.349 -1.303 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -4.821 2.018 -1.278 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -7.492 -0.593 -0.692 0.00 0.00 -0.004 A ATOM 36 C LIG 1 -8.412 -0.590 0.376 0.00 0.00 +0.067 A ATOM 37 C LIG 1 -9.605 -1.331 0.286 0.00 0.00 +0.015 A ATOM 38 C LIG 1 -9.894 -2.071 -0.860 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -8.998 -2.077 -1.923 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -7.810 -1.347 -1.839 0.00 0.00 +0.009 A BRANCH 36 41 ATOM 41 C LIG 1 -8.171 0.214 1.601 0.00 0.00 +0.337 C ATOM 42 O LIG 1 -7.639 1.303 1.682 0.00 0.00 -0.245 OA BRANCH 41 43 ATOM 43 O LIG 1 -8.627 -0.418 2.700 0.00 0.00 -0.477 OA ATOM 44 H LIG 1 -8.390 0.193 3.429 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 8