REMARK Name = BDB006461 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.610 -4.311 2.437 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.647 -2.826 2.329 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.367 -1.991 1.766 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.068 -0.667 1.862 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.714 0.405 1.395 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.956 0.123 0.818 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.407 -1.193 0.698 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.315 -0.695 2.466 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.626 -2.252 1.181 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.670 -1.997 2.766 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.954 -2.364 3.432 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.725 -1.518 0.086 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.166 -0.658 -0.895 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.537 0.037 -1.269 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.343 -2.515 0.440 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.406 -0.888 -1.617 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.237 -1.985 -2.673 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.896 0.436 -2.179 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.790 1.214 -1.415 0.00 0.00 +0.009 A ATOM 20 C LIG 1 7.269 2.466 -1.845 0.00 0.00 -0.044 A ATOM 21 C LIG 1 6.803 2.923 -3.089 0.00 0.00 +0.004 A ATOM 22 C LIG 1 5.907 2.179 -3.859 0.00 0.00 +0.001 A ATOM 23 C LIG 1 5.450 0.945 -3.404 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 8.237 3.317 -1.043 0.00 0.00 +0.019 C ATOM 25 C LIG 1 8.169 3.371 0.465 0.00 0.00 +0.009 C ATOM 26 C LIG 1 9.326 2.690 -0.207 0.00 0.00 +0.009 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.119 0.491 2.766 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.306 0.634 1.841 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -3.150 0.632 0.448 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -4.259 0.749 -0.394 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.551 0.873 0.137 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -5.700 0.919 1.530 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -4.592 0.801 2.373 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -6.724 0.920 -0.748 0.00 0.00 -0.007 A ATOM 35 C LIG 1 -7.654 -0.144 -0.863 0.00 0.00 +0.028 A ATOM 36 C LIG 1 -8.773 0.025 -1.703 0.00 0.00 +0.012 A ATOM 37 C LIG 1 -8.968 1.198 -2.432 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.048 2.233 -2.333 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.939 2.095 -1.498 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -7.536 -1.426 -0.159 0.00 0.00 +0.180 A ATOM 41 N LIG 1 -6.374 -2.031 0.245 0.00 0.00 -0.239 N ATOM 42 H LIG 1 -5.415 -1.724 0.155 0.00 0.00 +0.192 HD ATOM 43 N LIG 1 -6.635 -3.201 0.844 0.00 0.00 -0.046 NA ATOM 44 N LIG 1 -7.951 -3.326 0.791 0.00 0.00 -0.023 NA ATOM 45 N LIG 1 -8.522 -2.245 0.168 0.00 0.00 -0.108 NA ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 8