REMARK Name = BDB003756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.229 -0.302 1.450 0.00 0.00 +0.019 C ATOM 2 C LIG 1 2.230 1.233 0.932 0.00 0.00 +0.010 C ATOM 3 C LIG 1 2.116 2.195 2.176 0.00 0.00 +0.001 C ATOM 4 C LIG 1 3.627 1.550 0.216 0.00 0.00 +0.001 C ATOM 5 C LIG 1 1.056 1.443 -0.137 0.00 0.00 +0.108 C ATOM 6 C LIG 1 1.298 0.502 -1.349 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.144 -0.995 -1.010 0.00 0.00 +0.108 C ATOM 8 C LIG 1 -0.355 -1.187 -0.803 0.00 0.00 +0.171 C ATOM 9 C LIG 1 -0.993 -0.195 0.110 0.00 0.00 +0.177 C ATOM 10 O LIG 1 -1.023 -2.081 -1.307 0.00 0.00 -0.295 OA ATOM 11 O LIG 1 1.474 0.912 -2.494 0.00 0.00 -0.295 OA ATOM 12 C LIG 1 -0.306 1.083 0.487 0.00 0.00 +0.171 C ATOM 13 O LIG 1 -0.868 1.825 1.290 0.00 0.00 -0.295 OA ATOM 14 C LIG 1 1.818 -1.102 0.287 0.00 0.00 +0.011 C ENDROOT BRANCH 9 15 ATOM 15 C LIG 1 -2.003 -0.722 1.048 0.00 0.00 +0.185 C ATOM 16 O LIG 1 -1.592 -1.301 2.049 0.00 0.00 -0.290 OA BRANCH 15 17 ATOM 17 C LIG 1 -3.444 -0.514 0.758 0.00 0.00 +0.019 A ATOM 18 C LIG 1 -4.367 -0.868 1.752 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -5.735 -0.690 1.538 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -6.188 -0.161 0.331 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.276 0.188 -0.664 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -3.905 0.012 -0.456 0.00 0.00 +0.011 A ENDBRANCH 15 17 ENDBRANCH 9 15 BRANCH 1 23 ATOM 23 C LIG 1 3.496 -0.776 2.037 0.00 0.00 +0.021 C BRANCH 23 26 ATOM 24 C LIG 1 6.970 -2.402 2.261 0.00 0.00 +0.026 C ATOM 25 C LIG 1 5.952 -1.690 3.161 0.00 0.00 -0.048 C ATOM 26 C LIG 1 4.832 -1.272 2.651 0.00 0.00 -0.035 C ATOM 27 C LIG 1 6.144 -1.677 4.683 0.00 0.00 +0.026 C ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 7 28 ATOM 28 C LIG 1 1.710 -1.871 -2.036 0.00 0.00 +0.039 C BRANCH 28 29 ATOM 29 C LIG 1 2.287 -2.803 -3.134 0.00 0.00 -0.034 C ATOM 30 C LIG 1 2.764 -3.587 -4.052 0.00 0.00 -0.048 C ATOM 31 C LIG 1 3.830 -4.625 -3.682 0.00 0.00 +0.026 C ATOM 32 C LIG 1 2.244 -3.485 -5.490 0.00 0.00 +0.026 C ENDBRANCH 28 29 ENDBRANCH 7 28 BRANCH 5 33 ATOM 33 C LIG 1 0.967 2.854 -0.629 0.00 0.00 +0.039 C BRANCH 33 34 ATOM 34 C LIG 1 0.863 4.315 -1.146 0.00 0.00 -0.034 C ATOM 35 C LIG 1 0.756 5.533 -1.589 0.00 0.00 -0.048 C ATOM 36 C LIG 1 1.939 6.500 -1.486 0.00 0.00 +0.026 C ATOM 37 C LIG 1 -0.545 5.965 -2.279 0.00 0.00 +0.026 C ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 8