REMARK Name = BDB006402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.325 -0.786 -0.174 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.755 -1.606 -1.158 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.401 -1.993 -1.056 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.453 -2.803 -1.866 0.00 0.00 -0.022 A ATOM 5 C LIG 1 1.697 -2.835 -1.252 0.00 0.00 +0.020 A ATOM 6 N LIG 1 1.627 -2.051 -0.116 0.00 0.00 -0.339 N ATOM 7 C LIG 1 2.941 -3.537 -1.681 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.077 -3.492 -3.132 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.349 -1.534 0.029 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.205 -0.692 1.010 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -1.549 -0.323 0.890 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -4.455 -0.228 0.852 0.00 0.00 -0.305 N ATOM 13 H LIG 1 -4.016 -0.440 1.736 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -3.757 -0.409 -0.320 0.00 0.00 +0.245 C ATOM 15 O LIG 1 -4.255 -0.303 -1.434 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -5.862 0.141 0.881 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 C LIG 1 -6.044 1.211 1.952 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -6.191 0.901 3.314 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -6.326 1.915 4.266 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.303 3.251 3.873 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.141 3.577 2.529 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.007 2.565 1.576 0.00 0.00 +0.005 A ENDBRANCH 16 17 BRANCH 16 23 ATOM 23 C LIG 1 -6.764 -1.093 1.103 0.00 0.00 +0.027 C BRANCH 23 25 ATOM 24 C LIG 1 -7.547 -1.502 -1.295 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -6.836 -2.071 -0.077 0.00 0.00 -0.001 C ENDBRANCH 23 25 ENDBRANCH 16 23 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 2.721 -1.839 0.834 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 3.765 -0.871 0.329 0.00 0.00 -0.028 A ATOM 28 C LIG 1 5.122 -1.221 0.374 0.00 0.00 +0.006 A ATOM 29 C LIG 1 6.105 -0.328 -0.064 0.00 0.00 +0.009 A ATOM 30 C LIG 1 5.760 0.944 -0.545 0.00 0.00 -0.017 A ATOM 31 C LIG 1 4.403 1.295 -0.579 0.00 0.00 +0.009 A ATOM 32 C LIG 1 3.418 0.403 -0.143 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 6.793 1.877 -1.016 0.00 0.00 -0.004 A ATOM 34 C LIG 1 7.122 3.073 -0.346 0.00 0.00 +0.067 A ATOM 35 C LIG 1 8.059 3.968 -0.887 0.00 0.00 +0.015 A ATOM 36 C LIG 1 8.706 3.668 -2.084 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.413 2.480 -2.748 0.00 0.00 +0.001 A ATOM 38 C LIG 1 7.466 1.597 -2.222 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 6.505 3.467 0.935 0.00 0.00 +0.337 C ATOM 40 O LIG 1 6.040 4.561 1.193 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 6.601 2.497 1.859 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 6.180 2.879 2.655 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 10