REMARK Name = BDB006438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.333 -3.784 -2.729 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.424 -2.370 -2.270 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.528 -1.676 -1.462 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.051 -0.379 -1.259 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.758 0.559 -0.485 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.978 0.172 0.080 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.486 -1.112 -0.124 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.161 -0.286 -1.925 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.761 -2.044 -0.880 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.454 -1.483 -2.550 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.695 -1.701 -3.349 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.784 -1.544 0.466 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.724 -0.550 0.652 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.596 0.306 0.130 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.983 -2.725 0.723 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -6.084 -0.862 1.076 0.00 0.00 +0.103 C ATOM 17 C LIG 1 -6.137 -1.317 2.539 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.980 0.342 0.863 0.00 0.00 +0.008 A ATOM 19 C LIG 1 -8.107 0.245 0.041 0.00 0.00 +0.128 A ATOM 20 F LIG 1 -8.401 -0.916 -0.563 0.00 0.00 -0.205 F ATOM 21 C LIG 1 -8.947 1.335 -0.174 0.00 0.00 +0.039 A ATOM 22 C LIG 1 -8.670 2.554 0.442 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -7.554 2.675 1.269 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -6.715 1.577 1.480 0.00 0.00 +0.008 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 1.978 0.927 -1.997 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.208 0.874 -1.122 0.00 0.00 -0.028 A ATOM 27 C LIG 1 3.147 0.469 0.218 0.00 0.00 +0.006 A ATOM 28 C LIG 1 4.297 0.458 1.015 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.539 0.862 0.504 0.00 0.00 -0.018 A ATOM 30 C LIG 1 5.592 1.280 -0.834 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.444 1.292 -1.634 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.747 0.849 1.345 0.00 0.00 -0.018 A ATOM 33 C LIG 1 6.775 1.511 2.584 0.00 0.00 +0.008 A ATOM 34 C LIG 1 7.923 1.500 3.382 0.00 0.00 +0.001 A ATOM 35 C LIG 1 9.063 0.825 2.954 0.00 0.00 +0.000 A ATOM 36 C LIG 1 9.057 0.162 1.729 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.909 0.175 0.932 0.00 0.00 +0.008 A ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 6