REMARK Name = BDB025066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.636 -1.238 0.292 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.704 -0.949 1.304 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.960 -1.391 2.698 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.109 -0.588 3.336 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.752 -1.290 3.643 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.478 -1.678 2.929 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.301 -0.727 1.782 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.037 -0.198 1.446 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.172 -0.409 2.058 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.058 0.288 1.374 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.448 0.974 0.337 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.897 0.659 0.360 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.989 1.020 -0.433 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.239 0.480 -0.101 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.417 -0.389 0.985 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.522 -0.972 -0.901 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.122 1.858 -0.614 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.641 3.317 -0.515 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.340 4.250 -1.515 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.356 3.676 -2.935 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.867 2.238 -2.994 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.089 1.323 -2.052 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.745 4.603 -1.067 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.491 3.923 -0.381 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.149 5.795 -1.542 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.060 5.902 -1.198 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.684 -2.276 -0.229 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.723 -1.920 0.767 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.529 0.311 1.680 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -3.366 -0.453 0.675 0.00 0.00 -0.036 A ATOM 31 C LIG 1 -3.092 -1.803 0.399 0.00 0.00 +0.053 A ATOM 32 C LIG 1 -3.848 -2.514 -0.540 0.00 0.00 +0.162 A ATOM 33 C LIG 1 -4.902 -1.868 -1.216 0.00 0.00 +0.161 A ATOM 34 C LIG 1 -5.188 -0.529 -0.928 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -4.430 0.171 0.013 0.00 0.00 +0.008 A BRANCH 32 36 ATOM 36 O LIG 1 -3.629 -3.828 -0.876 0.00 0.00 -0.491 OA ATOM 37 C LIG 1 -2.628 -4.531 -0.155 0.00 0.00 +0.277 C ENDBRANCH 32 36 BRANCH 33 38 ATOM 38 O LIG 1 -5.592 -2.630 -2.125 0.00 0.00 -0.491 OA ATOM 39 C LIG 1 -6.597 -1.986 -2.894 0.00 0.00 +0.277 C ENDBRANCH 33 38 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8