REMARK Name = BDB011575 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.937 -0.606 -0.359 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.067 -1.438 -1.122 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.301 -2.538 -1.559 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.375 -0.966 -1.291 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.862 0.415 -1.081 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -1.109 1.587 -0.734 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -1.798 2.827 -0.582 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -3.172 2.964 -0.730 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -3.907 1.855 -1.062 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.329 1.701 -0.625 0.00 0.00 -0.267 N ATOM 11 C LIG 1 0.920 2.623 0.273 0.00 0.00 +0.224 C ATOM 12 O LIG 1 0.319 3.113 1.231 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -3.260 0.628 -1.239 0.00 0.00 +0.025 A ATOM 14 C LIG 1 1.133 0.641 -1.191 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 3.162 -0.994 0.686 0.00 0.00 +0.230 C ATOM 16 N LIG 1 2.177 -1.363 -0.200 0.00 0.00 -0.301 N ATOM 17 H LIG 1 2.390 -2.097 -0.872 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 3.049 -0.025 1.433 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 4.399 -1.916 0.648 0.00 0.00 +0.137 C ATOM 20 C LIG 1 5.466 -1.470 1.642 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 5.488 -0.838 -1.285 0.00 0.00 +0.101 C ATOM 22 N LIG 1 4.895 -2.062 -0.747 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 5.609 -2.790 -0.759 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 -2.283 -1.984 -1.892 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 -3.482 -2.506 -1.081 0.00 0.00 -0.019 A ATOM 26 C LIG 1 -3.408 -2.837 0.314 0.00 0.00 -0.013 A ATOM 27 C LIG 1 -4.601 -3.187 1.001 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -4.588 -3.466 2.377 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -3.404 -3.437 3.103 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -2.218 -3.145 2.453 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.811 -3.271 0.312 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -5.866 -3.051 -1.056 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -2.223 -2.864 1.085 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -4.718 -2.694 -1.769 0.00 0.00 -0.045 A ATOM 35 C LIG 1 -4.865 -2.482 -3.255 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 36 ATOM 36 C LIG 1 2.366 3.019 -0.029 0.00 0.00 +0.133 C BRANCH 36 37 ATOM 37 C LIG 1 2.739 4.384 0.491 0.00 0.00 -0.021 A ATOM 38 C LIG 1 2.455 5.536 -0.241 0.00 0.00 +0.114 A ATOM 39 N LIG 1 2.764 6.790 0.160 0.00 0.00 -0.263 NA ATOM 40 C LIG 1 3.363 6.906 1.367 0.00 0.00 +0.111 A ATOM 41 C LIG 1 3.674 5.827 2.183 0.00 0.00 +0.020 A ATOM 42 C LIG 1 3.355 4.547 1.736 0.00 0.00 +0.007 A ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 7