REMARK Name = BDB032089 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.099 2.512 -2.131 0.00 0.00 +0.012 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.338 3.411 -2.189 0.00 0.00 +0.035 C BRANCH 2 5 ATOM 3 C LIG 1 4.246 1.259 -0.928 0.00 0.00 -0.018 A ATOM 4 C LIG 1 3.044 1.986 -0.983 0.00 0.00 +0.012 A ATOM 5 C LIG 1 2.642 2.653 -2.152 0.00 0.00 -0.047 A ATOM 6 C LIG 1 3.465 2.596 -3.282 0.00 0.00 +0.003 A ATOM 7 C LIG 1 4.660 1.882 -3.247 0.00 0.00 +0.001 A ATOM 8 C LIG 1 5.046 1.218 -2.081 0.00 0.00 +0.008 A BRANCH 3 12 ATOM 9 C LIG 1 5.417 -0.782 2.661 0.00 0.00 +0.134 A ATOM 10 C LIG 1 5.347 -1.487 1.456 0.00 0.00 +0.101 A ATOM 11 C LIG 1 4.959 -0.812 0.286 0.00 0.00 +0.027 A ATOM 12 C LIG 1 4.653 0.560 0.301 0.00 0.00 -0.017 A ATOM 13 C LIG 1 4.750 1.246 1.523 0.00 0.00 +0.012 A ATOM 14 C LIG 1 5.137 0.585 2.691 0.00 0.00 +0.047 A BRANCH 10 15 ATOM 15 C LIG 1 5.645 -2.939 1.407 0.00 0.00 +0.340 C ATOM 16 O LIG 1 5.523 -3.753 2.302 0.00 0.00 -0.245 OA BRANCH 15 17 ATOM 17 O LIG 1 6.093 -3.314 0.192 0.00 0.00 -0.477 OA ATOM 18 H LIG 1 6.270 -4.272 0.301 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 10 15 BRANCH 9 19 ATOM 19 O LIG 1 5.858 -1.377 3.813 0.00 0.00 -0.491 OA BRANCH 19 21 ATOM 20 C LIG 1 5.280 -2.574 5.797 0.00 0.00 +0.048 C ATOM 21 C LIG 1 4.755 -1.708 4.667 0.00 0.00 +0.226 C ENDBRANCH 19 21 ENDBRANCH 9 19 ENDBRANCH 3 12 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 C LIG 1 -0.034 1.599 -3.351 0.00 0.00 +0.077 C BRANCH 22 23 ATOM 23 C LIG 1 -1.330 0.844 -3.292 0.00 0.00 +0.134 A ATOM 24 N LIG 1 -2.489 1.348 -3.758 0.00 0.00 -0.280 N ATOM 25 C LIG 1 -3.442 0.388 -3.509 0.00 0.00 +0.347 A ATOM 26 O LIG 1 -4.631 0.440 -3.784 0.00 0.00 -0.245 OA ATOM 27 N LIG 1 -2.758 -0.651 -2.884 0.00 0.00 -0.209 N ATOM 28 N LIG 1 -1.426 -0.335 -2.746 0.00 0.00 -0.153 NA BRANCH 24 29 ATOM 29 C LIG 1 -2.757 2.586 -4.463 0.00 0.00 +0.125 C ATOM 30 C LIG 1 -2.628 2.410 -5.967 0.00 0.00 +0.027 C ENDBRANCH 24 29 BRANCH 27 31 ATOM 31 C LIG 1 -3.352 -1.841 -2.328 0.00 0.00 +0.184 C BRANCH 31 32 ATOM 32 C LIG 1 -3.755 -1.652 -0.886 0.00 0.00 -0.026 A ATOM 33 C LIG 1 -2.844 -1.896 0.146 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -3.210 -1.708 1.484 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -4.495 -1.261 1.834 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -5.395 -1.004 0.782 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -5.032 -1.191 -0.556 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 -4.930 -1.043 3.294 0.00 0.00 -0.013 C ATOM 39 C LIG 1 -5.311 0.439 3.504 0.00 0.00 +0.015 C ATOM 40 C LIG 1 -3.837 -1.387 4.330 0.00 0.00 +0.015 C ATOM 41 C LIG 1 -6.153 -1.931 3.611 0.00 0.00 +0.015 C ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 13