REMARK Name = BDB004377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.165 -0.766 0.231 0.00 0.00 +0.225 C ATOM 2 N LIG 1 1.406 -1.319 0.574 0.00 0.00 -0.256 N ATOM 3 O LIG 1 -0.007 0.437 0.002 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 6 ATOM 4 C LIG 1 -3.179 -2.191 -1.131 0.00 0.00 +0.089 C ATOM 5 C LIG 1 -1.800 -1.517 -1.133 0.00 0.00 +0.028 C ATOM 6 C LIG 1 -1.054 -1.690 0.199 0.00 0.00 +0.090 C ATOM 7 C LIG 1 -1.980 -1.349 1.364 0.00 0.00 +0.093 C ATOM 8 N LIG 1 -3.166 -2.202 1.430 0.00 0.00 -0.315 NA ATOM 9 H LIG 1 -3.962 -1.704 1.830 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -3.524 -2.893 0.190 0.00 0.00 +0.093 C BRANCH 4 13 ATOM 11 N LIG 1 -4.497 -0.178 -0.702 0.00 0.00 -0.310 N ATOM 12 H LIG 1 -4.187 -0.320 0.249 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -4.290 -1.235 -1.554 0.00 0.00 +0.218 C ATOM 14 O LIG 1 -4.944 -1.420 -2.579 0.00 0.00 -0.275 OA BRANCH 11 15 ATOM 15 C LIG 1 -5.651 0.715 -0.824 0.00 0.00 +0.099 C BRANCH 15 16 ATOM 16 C LIG 1 -5.441 1.716 -1.980 0.00 0.00 +0.027 C BRANCH 16 17 ATOM 17 C LIG 1 -6.668 2.589 -2.314 0.00 0.00 -0.015 C ATOM 18 C LIG 1 -6.637 3.937 -1.588 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -6.725 2.849 -3.824 0.00 0.00 +0.007 C ENDBRANCH 16 17 ENDBRANCH 15 16 BRANCH 15 20 ATOM 20 C LIG 1 -5.883 1.403 0.534 0.00 0.00 +0.182 C BRANCH 20 21 ATOM 21 O LIG 1 -5.782 0.415 1.576 0.00 0.00 -0.378 OA BRANCH 21 23 ATOM 22 C LIG 1 -7.564 0.930 3.139 0.00 0.00 +0.034 C ATOM 23 C LIG 1 -6.070 0.942 2.870 0.00 0.00 +0.156 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 11 15 ENDBRANCH 4 13 ENDBRANCH 1 6 BRANCH 2 24 ATOM 24 C LIG 1 2.583 -0.663 0.084 0.00 0.00 +0.131 A ATOM 25 N LIG 1 2.475 -0.012 -1.089 0.00 0.00 -0.239 NA ATOM 26 C LIG 1 3.578 0.552 -1.625 0.00 0.00 +0.120 A ATOM 27 C LIG 1 4.844 0.503 -1.058 0.00 0.00 +0.015 A ATOM 28 C LIG 1 4.952 -0.175 0.162 0.00 0.00 +0.129 A ATOM 29 C LIG 1 3.814 -0.759 0.732 0.00 0.00 +0.090 A BRANCH 27 30 ATOM 30 C LIG 1 6.033 1.152 -1.744 0.00 0.00 +0.018 C ATOM 31 C LIG 1 5.785 2.634 -2.050 0.00 0.00 +0.012 C ATOM 32 C LIG 1 6.406 0.391 -3.019 0.00 0.00 +0.012 C ENDBRANCH 27 30 BRANCH 28 33 ATOM 33 O LIG 1 6.211 -0.257 0.693 0.00 0.00 -0.491 OA BRANCH 33 34 ATOM 34 C LIG 1 6.381 -0.550 2.076 0.00 0.00 +0.231 C BRANCH 34 35 ATOM 35 C LIG 1 6.082 0.640 2.992 0.00 0.00 +0.069 C BRANCH 35 36 ATOM 36 C LIG 1 7.069 1.792 2.805 0.00 0.00 +0.163 C BRANCH 36 37 ATOM 37 O LIG 1 6.784 2.495 1.602 0.00 0.00 -0.383 OA ATOM 38 C LIG 1 7.725 3.530 1.359 0.00 0.00 +0.193 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 2 24 BRANCH 2 39 ATOM 39 C LIG 1 1.531 -2.558 1.352 0.00 0.00 +0.118 C BRANCH 39 40 ATOM 40 C LIG 1 1.698 -3.835 0.494 0.00 0.00 +0.001 C ATOM 41 C LIG 1 3.117 -4.009 -0.047 0.00 0.00 +0.009 C ATOM 42 C LIG 1 1.318 -5.064 1.326 0.00 0.00 +0.009 C ENDBRANCH 39 40 ENDBRANCH 2 39 TORSDOF 17