REMARK Name = BDB065135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.490 1.443 0.318 0.00 0.00 +0.058 C ATOM 2 C LIG 1 1.341 2.025 1.518 0.00 0.00 +0.111 C ATOM 3 C LIG 1 1.997 0.962 2.411 0.00 0.00 +0.015 C ATOM 4 C LIG 1 0.997 -0.064 2.912 0.00 0.00 +0.001 C ATOM 5 C LIG 1 0.159 -0.668 1.791 0.00 0.00 +0.005 C ATOM 6 C LIG 1 -0.546 0.417 0.939 0.00 0.00 +0.009 C ATOM 7 C LIG 1 -1.715 -0.146 -0.012 0.00 0.00 -0.026 C ATOM 8 C LIG 1 -1.206 -1.320 -0.870 0.00 0.00 +0.012 C ATOM 9 C LIG 1 -2.320 1.018 -0.893 0.00 0.00 -0.004 C ATOM 10 C LIG 1 -3.077 0.570 -2.158 0.00 0.00 +0.008 C ATOM 11 C LIG 1 -1.319 2.078 -1.374 0.00 0.00 +0.049 C ATOM 12 C LIG 1 -0.363 2.594 -0.302 0.00 0.00 +0.187 C ENDROOT BRANCH 2 13 ATOM 13 C LIG 1 2.380 3.070 1.146 0.00 0.00 +0.309 C ATOM 14 O LIG 1 2.243 4.278 1.261 0.00 0.00 -0.251 OA BRANCH 13 15 ATOM 15 O LIG 1 3.526 2.564 0.661 0.00 0.00 -0.480 OA ATOM 16 H LIG 1 4.080 3.350 0.471 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 2 13 BRANCH 1 17 ATOM 17 C LIG 1 1.427 0.866 -0.791 0.00 0.00 +0.244 C BRANCH 17 18 ATOM 18 O LIG 1 2.217 -0.245 -0.358 0.00 0.00 -0.461 OA BRANCH 18 19 ATOM 19 C LIG 1 3.061 -0.727 -1.310 0.00 0.00 +0.335 C ATOM 20 O LIG 1 3.160 -0.285 -2.447 0.00 0.00 -0.245 OA BRANCH 19 23 ATOM 21 C LIG 1 4.536 -3.454 1.090 0.00 0.00 +0.036 C ATOM 22 C LIG 1 3.797 -2.320 0.454 0.00 0.00 -0.020 C ATOM 23 C LIG 1 3.863 -1.899 -0.825 0.00 0.00 +0.029 C ATOM 24 C LIG 1 4.710 -2.515 -1.903 0.00 0.00 +0.051 C ENDBRANCH 19 23 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 7 25 ATOM 25 C LIG 1 -2.841 -0.684 0.980 0.00 0.00 +0.011 C BRANCH 25 26 ATOM 26 C LIG 1 -4.201 -1.209 0.488 0.00 0.00 +0.035 C BRANCH 26 27 ATOM 27 C LIG 1 -4.202 -2.552 -0.166 0.00 0.00 -0.026 C ATOM 28 C LIG 1 -3.677 -3.764 0.505 0.00 0.00 +0.264 C ATOM 29 O LIG 1 -3.912 -4.817 -0.429 0.00 0.00 -0.457 OA ATOM 30 C LIG 1 -4.515 -4.307 -1.535 0.00 0.00 +0.332 C ATOM 31 O LIG 1 -4.850 -4.936 -2.521 0.00 0.00 -0.246 OA ATOM 32 C LIG 1 -4.708 -2.869 -1.357 0.00 0.00 +0.094 C ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 7 25 BRANCH 12 33 ATOM 33 O LIG 1 0.497 3.571 -0.921 0.00 0.00 -0.461 OA BRANCH 33 34 ATOM 34 C LIG 1 0.021 4.849 -0.973 0.00 0.00 +0.304 C ATOM 35 O LIG 1 -1.075 5.214 -0.569 0.00 0.00 -0.251 OA ATOM 36 C LIG 1 1.019 5.743 -1.642 0.00 0.00 +0.136 C ENDBRANCH 33 34 ENDBRANCH 12 33 TORSDOF 11