REMARK Name = BDB037336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.753 2.155 -0.562 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.420 1.018 -0.067 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.100 -0.301 -0.355 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.965 -1.082 0.467 0.00 0.00 +0.090 A ATOM 5 N LIG 1 -2.653 -0.292 1.301 0.00 0.00 -0.167 NA ATOM 6 C LIG 1 -0.103 -0.629 -1.410 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.858 0.539 -1.711 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.526 0.953 0.783 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.324 1.964 -1.442 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.935 2.917 -1.948 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.593 -1.954 -1.137 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.149 -2.288 0.114 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.816 -3.500 0.304 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.939 -4.387 -0.756 0.00 0.00 +0.123 A ATOM 15 F LIG 1 2.579 -5.549 -0.575 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.409 -4.084 -2.003 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.743 -2.872 -2.195 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.594 1.866 1.001 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.329 1.793 2.192 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.401 2.661 2.407 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.758 3.586 1.427 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.058 3.631 0.222 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.985 2.764 0.003 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.233 0.456 -1.187 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.931 0.059 -1.800 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.539 0.629 0.144 0.00 0.00 +0.245 C ATOM 27 O LIG 1 1.706 0.882 1.004 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.967 0.445 0.521 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.011 0.748 -0.362 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.349 0.554 0.023 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.623 0.075 1.314 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.584 -0.209 2.202 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.260 -0.021 1.808 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.474 0.899 -0.923 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.841 2.206 -0.837 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.604 0.173 -0.701 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.146 0.685 -2.228 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.243 4.612 -0.887 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.834 3.487 0.058 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.202 -2.580 0.512 0.00 0.00 +0.131 C ATOM 41 C LIG 1 -1.964 -3.180 1.901 0.00 0.00 +0.035 C BRANCH 40 42 ATOM 42 N LIG 1 -3.602 -2.899 0.030 0.00 0.00 -0.264 N ATOM 43 C LIG 1 -3.694 -2.944 -1.448 0.00 0.00 +0.142 C BRANCH 42 44 ATOM 44 C LIG 1 -4.694 -2.669 0.781 0.00 0.00 +0.169 C ATOM 45 N LIG 1 -5.660 -2.511 1.401 0.00 0.00 -0.174 NA ENDBRANCH 42 44 ENDBRANCH 40 42 ENDBRANCH 4 40 TORSDOF 9