REMARK Name = BDB048236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.051 -0.820 -0.185 0.00 0.00 +0.002 A ATOM 2 C LIG 1 -1.061 -0.242 -0.977 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -2.353 -0.010 -0.449 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -2.594 -0.378 0.875 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -3.898 -0.052 1.163 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -4.343 -0.218 2.055 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -4.508 0.530 0.081 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -5.810 1.033 -0.072 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -6.960 1.068 0.897 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -7.869 2.119 0.242 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -7.619 2.038 -1.271 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -6.196 1.583 -1.303 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -5.299 1.601 -2.337 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -5.425 2.087 -3.709 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -6.414 2.591 -4.202 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -4.225 1.855 -4.303 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -4.021 2.095 -5.259 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -3.325 1.275 -3.459 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -2.184 0.965 -3.731 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -4.008 1.104 -2.179 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -1.622 -0.967 1.689 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -3.565 0.557 -0.964 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -0.354 -1.177 1.136 0.00 0.00 +0.012 A ENDROOT BRANCH 1 27 ATOM 24 C LIG 1 3.386 -1.827 -0.576 0.00 0.00 +0.116 A ATOM 25 S LIG 1 3.438 -1.012 -2.089 0.00 0.00 -0.077 S ATOM 26 C LIG 1 1.796 -0.558 -1.887 0.00 0.00 +0.075 A ATOM 27 C LIG 1 1.303 -1.049 -0.693 0.00 0.00 +0.079 A ATOM 28 N LIG 1 2.224 -1.786 0.045 0.00 0.00 -0.241 NA BRANCH 24 29 ATOM 29 C LIG 1 4.609 -2.500 -0.036 0.00 0.00 +0.294 C BRANCH 29 30 ATOM 30 O LIG 1 5.373 -1.483 0.623 0.00 0.00 -0.457 OA BRANCH 30 31 ATOM 31 C LIG 1 6.404 -1.957 1.371 0.00 0.00 +0.313 C ATOM 32 O LIG 1 6.710 -3.140 1.448 0.00 0.00 -0.250 OA BRANCH 31 34 ATOM 33 C LIG 1 7.936 -0.028 1.005 0.00 0.00 +0.022 C ATOM 34 C LIG 1 7.149 -0.810 2.063 0.00 0.00 +0.059 C ATOM 35 C LIG 1 8.119 -1.385 3.106 0.00 0.00 +0.022 C ATOM 36 C LIG 1 6.151 0.113 2.780 0.00 0.00 +0.022 C ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 24 29 ENDBRANCH 1 27 TORSDOF 5