REMARK Name = BDB031411 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.014 0.051 -0.544 0.00 0.00 +0.192 C ATOM 2 N LIG 1 0.782 0.720 -1.586 0.00 0.00 -0.256 N ATOM 3 C LIG 1 2.137 0.527 -1.431 0.00 0.00 +0.250 C ATOM 4 O LIG 1 3.051 1.048 -2.042 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 2.311 -0.465 -0.373 0.00 0.00 +0.045 A ATOM 6 C LIG 1 3.486 -1.059 0.060 0.00 0.00 +0.020 A ATOM 7 C LIG 1 3.410 -2.053 1.052 0.00 0.00 -0.016 A ATOM 8 C LIG 1 2.131 -2.408 1.547 0.00 0.00 +0.007 A ATOM 9 C LIG 1 0.958 -1.791 1.090 0.00 0.00 +0.009 A ATOM 10 C LIG 1 1.058 -0.794 0.130 0.00 0.00 +0.019 A ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 -3.250 -2.201 -2.440 0.00 0.00 -0.048 A ATOM 12 C LIG 1 -1.956 -2.725 -2.391 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -0.920 -2.007 -1.785 0.00 0.00 +0.009 A ATOM 14 C LIG 1 -1.152 -0.752 -1.188 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -2.454 -0.229 -1.270 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -3.490 -0.946 -1.875 0.00 0.00 +0.004 A BRANCH 11 18 ATOM 17 C LIG 1 -5.069 -3.887 -2.076 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -4.371 -2.981 -3.078 0.00 0.00 +0.032 C ENDBRANCH 11 18 ENDBRANCH 1 14 BRANCH 7 19 ATOM 19 C LIG 1 4.677 -2.739 1.561 0.00 0.00 +0.085 C ATOM 20 C LIG 1 5.653 -1.722 2.166 0.00 0.00 +0.046 C ATOM 21 C LIG 1 5.351 -3.538 0.438 0.00 0.00 +0.046 C BRANCH 19 22 ATOM 22 O LIG 1 4.343 -3.669 2.600 0.00 0.00 -0.385 OA ATOM 23 H LIG 1 5.167 -4.093 2.892 0.00 0.00 +0.211 HD ENDBRANCH 19 22 ENDBRANCH 7 19 BRANCH 2 24 ATOM 24 C LIG 1 0.231 1.704 -2.507 0.00 0.00 +0.166 C BRANCH 24 25 ATOM 25 C LIG 1 -0.110 3.037 -1.875 0.00 0.00 +0.059 A ATOM 26 N LIG 1 -1.411 3.433 -1.914 0.00 0.00 -0.257 NA ATOM 27 C LIG 1 -1.716 4.618 -1.331 0.00 0.00 +0.131 A ATOM 28 C LIG 1 -0.787 5.434 -0.707 0.00 0.00 +0.059 A ATOM 29 CL LIG 1 -1.263 6.909 0.030 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 0.540 5.028 -0.688 0.00 0.00 +0.023 A ATOM 31 C LIG 1 0.886 3.816 -1.283 0.00 0.00 +0.026 A ENDBRANCH 24 25 ENDBRANCH 2 24 BRANCH 1 32 ATOM 32 O LIG 1 -0.446 1.105 0.319 0.00 0.00 -0.347 OA BRANCH 32 33 ATOM 33 C LIG 1 -0.980 0.749 1.587 0.00 0.00 +0.172 C BRANCH 33 34 ATOM 34 C LIG 1 -1.526 2.007 2.237 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -1.211 2.263 3.701 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -0.524 3.074 2.642 0.00 0.00 +0.012 C BRANCH 34 37 ATOM 37 C LIG 1 -2.861 2.458 1.710 0.00 0.00 +0.165 C BRANCH 37 38 ATOM 38 O LIG 1 -3.867 1.550 2.141 0.00 0.00 -0.394 OA ATOM 39 H LIG 1 -3.878 1.588 3.112 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 11