REMARK Name = BDB024013 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.518 1.481 -0.492 0.00 0.00 +0.047 A ATOM 2 C LIG 1 -0.676 2.779 -0.975 0.00 0.00 +0.134 A ATOM 3 F LIG 1 0.208 3.730 -0.645 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.738 3.126 -1.804 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.687 2.168 -2.153 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.587 0.863 -1.654 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.492 0.531 -0.836 0.00 0.00 +0.018 A ENDROOT BRANCH 1 11 ATOM 8 N LIG 1 3.469 -0.464 -0.307 0.00 0.00 -0.329 N ATOM 9 C LIG 1 2.616 -0.978 0.788 0.00 0.00 +0.113 C ATOM 10 C LIG 1 1.154 -0.696 0.507 0.00 0.00 +0.093 C ATOM 11 P LIG 1 0.839 1.086 0.569 0.00 0.00 +0.122 P ATOM 12 O LIG 1 0.653 1.508 2.007 0.00 0.00 -0.316 OA ATOM 13 C LIG 1 2.396 1.746 -0.071 0.00 0.00 +0.093 C ATOM 14 C LIG 1 3.035 0.750 -1.018 0.00 0.00 +0.113 C BRANCH 8 18 ATOM 15 C LIG 1 7.589 -1.114 0.453 0.00 0.00 +0.052 A ATOM 16 C LIG 1 7.101 0.189 0.352 0.00 0.00 +0.020 A ATOM 17 C LIG 1 5.742 0.417 0.099 0.00 0.00 +0.024 A ATOM 18 C LIG 1 4.839 -0.645 -0.057 0.00 0.00 +0.030 A ATOM 19 C LIG 1 5.354 -1.948 0.050 0.00 0.00 +0.024 A ATOM 20 C LIG 1 6.710 -2.186 0.300 0.00 0.00 +0.020 A BRANCH 15 22 ATOM 21 N LIG 1 10.106 -1.538 0.915 0.00 0.00 -0.191 NA ATOM 22 C LIG 1 8.979 -1.349 0.709 0.00 0.00 +0.099 C ENDBRANCH 15 22 ENDBRANCH 8 18 ENDBRANCH 1 11 BRANCH 6 23 ATOM 23 C LIG 1 -3.619 -0.175 -2.041 0.00 0.00 +0.093 C BRANCH 23 24 ATOM 24 C LIG 1 -4.059 -1.068 -0.887 0.00 0.00 +0.074 A ATOM 25 C LIG 1 -5.008 -0.554 0.134 0.00 0.00 +0.011 A ATOM 26 C LIG 1 -5.366 -1.423 1.162 0.00 0.00 +0.050 A ATOM 27 C LIG 1 -6.254 -1.016 2.165 0.00 0.00 +0.014 A ATOM 28 C LIG 1 -6.785 0.272 2.138 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -6.430 1.147 1.113 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.797 -2.780 1.187 0.00 0.00 +0.272 A ATOM 31 O LIG 1 -5.090 -3.583 2.066 0.00 0.00 -0.266 OA ATOM 32 N LIG 1 -3.926 -3.089 0.171 0.00 0.00 -0.242 N ATOM 33 H LIG 1 -3.531 -4.025 0.169 0.00 0.00 +0.192 HD ATOM 34 C LIG 1 -5.544 0.739 0.111 0.00 0.00 +0.010 A ATOM 35 N LIG 1 -3.557 -2.268 -0.847 0.00 0.00 -0.175 NA ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 5