REMARK Name = BDB024574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.853 -3.749 0.492 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.368 -3.026 -0.612 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.575 -3.637 -1.942 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.052 -3.579 -2.363 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.735 -3.026 -3.075 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.359 -2.642 -2.575 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.550 -1.631 -1.482 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.728 -0.490 -1.364 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.348 -0.126 -2.134 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.833 0.974 -1.588 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.003 1.415 -0.579 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -0.941 0.430 -0.342 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.932 0.238 0.623 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.731 -0.909 0.512 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.552 -1.850 -0.511 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.558 -4.750 0.389 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.196 2.637 0.238 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.118 3.318 0.755 0.00 0.00 +0.034 C ATOM 19 C LIG 1 -0.482 4.627 0.388 0.00 0.00 -0.001 C ATOM 20 C LIG 1 -1.306 5.806 -0.035 0.00 0.00 +0.089 C ATOM 21 N LIG 1 -0.317 6.665 0.667 0.00 0.00 -0.315 NA ATOM 22 H LIG 1 -0.722 7.422 1.217 0.00 0.00 +0.122 HD ATOM 23 C LIG 1 0.137 5.491 1.457 0.00 0.00 +0.089 C ATOM 24 C LIG 1 0.420 3.939 -0.604 0.00 0.00 +0.034 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 -3.857 -4.068 2.820 0.00 0.00 +0.282 C ATOM 26 O LIG 1 -3.417 -3.296 1.702 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 2.144 1.592 -1.971 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 3.196 1.513 -0.882 0.00 0.00 -0.037 A ATOM 29 C LIG 1 3.432 0.303 -0.199 0.00 0.00 +0.049 A ATOM 30 C LIG 1 4.388 0.226 0.814 0.00 0.00 +0.121 A ATOM 31 C LIG 1 5.132 1.364 1.131 0.00 0.00 +0.045 A ATOM 32 C LIG 1 4.933 2.561 0.444 0.00 0.00 +0.004 A ATOM 33 C LIG 1 3.971 2.635 -0.562 0.00 0.00 +0.004 A BRANCH 30 34 ATOM 34 O LIG 1 4.684 -0.873 1.569 0.00 0.00 -0.489 OA BRANCH 34 35 ATOM 35 C LIG 1 4.020 -2.112 1.295 0.00 0.00 +0.167 C ATOM 36 C LIG 1 2.681 -2.167 2.026 0.00 0.00 +0.051 C ATOM 37 C LIG 1 4.937 -3.220 1.808 0.00 0.00 +0.051 C ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 6