REMARK Name = BDB024362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.773 -0.867 -0.919 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.764 -2.219 -1.617 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.589 -2.327 -3.007 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.586 -3.576 -3.630 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.757 -4.733 -2.874 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.930 -4.644 -1.495 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.933 -3.396 -0.870 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.477 -0.319 -0.108 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.212 -0.896 0.677 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.412 -0.135 -1.146 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.192 0.515 -2.169 0.00 0.00 -0.273 OA BRANCH 8 17 ATOM 12 C LIG 1 -4.353 2.383 -1.641 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -3.701 1.472 -0.638 0.00 0.00 -0.038 A ATOM 14 C LIG 1 -4.347 1.045 0.530 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -3.631 0.217 1.392 0.00 0.00 +0.121 A ATOM 16 N LIG 1 -2.366 -0.218 1.172 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 -1.768 0.183 0.032 0.00 0.00 +0.125 A ATOM 18 C LIG 1 -2.395 1.016 -0.886 0.00 0.00 +0.047 A BRANCH 14 19 ATOM 19 C LIG 1 -5.696 1.428 0.883 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -6.818 1.147 0.132 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -7.877 1.645 0.835 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -9.268 1.604 0.457 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -7.526 2.211 2.005 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -6.197 2.075 2.034 0.00 0.00 +0.143 A ENDBRANCH 14 19 ENDBRANCH 8 17 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 2.855 0.036 -1.367 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 2.667 0.295 -2.337 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 4.218 -0.479 -1.230 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 4.676 -0.845 0.208 0.00 0.00 +0.030 C ATOM 29 C LIG 1 6.153 -1.260 0.189 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 4.467 0.237 1.259 0.00 0.00 -0.043 A ATOM 31 C LIG 1 4.706 1.594 0.995 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.514 2.560 1.986 0.00 0.00 +0.019 A ATOM 33 C LIG 1 4.088 2.183 3.262 0.00 0.00 +0.052 A ATOM 34 C LIG 1 3.858 0.834 3.542 0.00 0.00 +0.019 A ATOM 35 C LIG 1 4.049 -0.130 2.549 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 3.893 3.174 4.279 0.00 0.00 +0.099 C ATOM 37 N LIG 1 3.738 3.973 5.107 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9