REMARK Name = BDB063600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.944 0.751 1.188 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -1.779 1.639 0.498 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -2.751 1.172 -0.401 0.00 0.00 -0.008 A ATOM 4 C LIG 1 -3.588 2.179 -1.135 0.00 0.00 +0.047 C ATOM 5 C LIG 1 -2.918 -0.213 -0.567 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -2.031 -1.114 0.045 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -2.089 -2.595 -0.195 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -1.067 -0.621 0.939 0.00 0.00 +0.012 A ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 0.119 1.269 2.128 0.00 0.00 +0.153 C BRANCH 9 13 ATOM 10 N LIG 1 3.401 1.088 0.566 0.00 0.00 -0.246 N ATOM 11 C LIG 1 2.357 0.535 1.325 0.00 0.00 +0.316 C ATOM 12 O LIG 1 2.293 -0.581 1.822 0.00 0.00 -0.252 OA ATOM 13 N LIG 1 1.373 1.481 1.446 0.00 0.00 -0.220 N ATOM 14 C LIG 1 1.718 2.631 0.806 0.00 0.00 +0.241 C ATOM 15 O LIG 1 1.061 3.661 0.744 0.00 0.00 -0.273 OA ATOM 16 C LIG 1 3.077 2.441 0.175 0.00 0.00 +0.211 C BRANCH 10 21 ATOM 17 C LIG 1 8.373 -1.385 -0.973 0.00 0.00 +0.044 C ATOM 18 C LIG 1 7.067 -0.754 -0.594 0.00 0.00 -0.050 A ATOM 19 C LIG 1 6.776 0.560 -0.963 0.00 0.00 +0.005 A ATOM 20 C LIG 1 5.568 1.156 -0.581 0.00 0.00 +0.024 A ATOM 21 C LIG 1 4.621 0.462 0.190 0.00 0.00 +0.038 A ATOM 22 C LIG 1 4.932 -0.849 0.565 0.00 0.00 +0.024 A ATOM 23 C LIG 1 6.140 -1.449 0.183 0.00 0.00 +0.005 A ENDBRANCH 10 21 ENDBRANCH 9 13 ENDBRANCH 1 9 BRANCH 5 24 ATOM 24 O LIG 1 -3.885 -0.691 -1.413 0.00 0.00 -0.475 OA BRANCH 24 25 ATOM 25 C LIG 1 -5.179 -0.897 -0.819 0.00 0.00 +0.200 C ATOM 26 C LIG 1 -5.516 -2.393 -0.971 0.00 0.00 +0.067 C ATOM 27 C LIG 1 -6.188 -0.140 -1.706 0.00 0.00 +0.067 C BRANCH 25 28 ATOM 28 C LIG 1 -5.433 -0.467 0.652 0.00 0.00 +0.348 C ATOM 29 O LIG 1 -5.952 0.574 1.030 0.00 0.00 -0.247 OA BRANCH 28 30 ATOM 30 O LIG 1 -5.003 -1.360 1.569 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 -5.161 -0.910 2.425 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 7