REMARK Name = BDB024655 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.300 -0.317 1.132 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.174 -1.117 0.851 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.259 -2.530 1.286 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.275 -3.320 0.444 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.933 -3.300 1.243 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.798 -2.433 1.735 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.719 -1.236 0.834 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.477 -0.702 0.431 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.215 -1.149 0.725 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.618 -0.334 0.114 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.072 0.686 -0.517 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.421 0.422 -0.383 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.578 1.032 -0.866 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.808 0.485 -0.474 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.906 -0.606 0.400 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -7.333 -0.763 1.639 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.535 1.843 -1.171 0.00 0.00 +0.089 C ATOM 18 C LIG 1 0.140 3.177 -0.507 0.00 0.00 +0.027 C ATOM 19 C LIG 1 0.278 4.380 -1.445 0.00 0.00 +0.033 C ATOM 20 C LIG 1 1.401 4.191 -2.465 0.00 0.00 +0.118 C ATOM 21 C LIG 1 1.098 2.991 -3.377 0.00 0.00 +0.033 C ATOM 22 C LIG 1 0.313 1.865 -2.687 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 2.646 3.914 -1.810 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 3.256 5.063 -1.237 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 -7.338 1.806 1.007 0.00 0.00 +0.282 C ATOM 26 O LIG 1 -6.161 1.013 0.825 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 2.110 -0.491 0.092 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 2.572 -1.851 0.648 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 4.088 -1.899 0.798 0.00 0.00 -0.033 A ATOM 30 C LIG 1 4.940 -1.790 -0.312 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.328 -1.841 -0.153 0.00 0.00 +0.003 A ATOM 32 C LIG 1 6.893 -1.989 1.120 0.00 0.00 -0.050 A ATOM 33 C LIG 1 8.381 -2.083 1.287 0.00 0.00 +0.044 C ATOM 34 C LIG 1 6.048 -2.110 2.229 0.00 0.00 +0.003 A ATOM 35 C LIG 1 4.660 -2.062 2.071 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 2.066 -3.030 -0.169 0.00 0.00 +0.313 C ATOM 37 O LIG 1 1.847 -4.156 0.254 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 1.950 -2.788 -1.492 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 1.601 -3.639 -1.836 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 28 36 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8