REMARK Name = BDB025006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.588 -0.256 0.293 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.560 -0.676 -0.571 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.949 -1.754 -1.500 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.105 -3.090 -0.755 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.011 -1.889 -2.697 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.587 -2.073 -2.221 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.208 -0.935 -1.317 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.853 -0.539 -1.234 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.240 -1.093 -1.847 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.290 -0.404 -1.442 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.891 0.646 -0.632 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.477 0.548 -0.460 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.415 1.292 0.253 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.755 0.878 0.185 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.178 -0.247 -0.542 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.774 -0.523 0.104 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.761 1.659 -0.041 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.423 3.096 -0.487 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -1.721 4.153 0.584 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.980 3.848 1.398 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.928 2.461 2.066 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.864 1.526 1.483 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.208 3.994 0.509 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.700 3.084 -0.142 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.691 5.254 0.463 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.207 5.899 1.012 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.223 0.769 2.310 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.175 0.407 1.409 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.711 -0.729 -1.824 0.00 0.00 +0.113 C BRANCH 29 30 ATOM 30 C LIG 1 -3.506 -1.391 -0.717 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.240 -2.709 -0.306 0.00 0.00 +0.124 A ATOM 32 C LIG 1 -3.979 -3.311 0.718 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -4.982 -2.593 1.365 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -5.252 -1.291 0.966 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -6.220 -0.601 1.583 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -4.538 -0.691 -0.068 0.00 0.00 +0.046 A BRANCH 31 37 ATOM 37 O LIG 1 -2.305 -3.440 -0.990 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -1.189 -3.769 -0.162 0.00 0.00 +0.277 C ENDBRANCH 31 37 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7