REMARK Name = BDB021424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.538 0.253 -0.540 0.00 0.00 -0.019 A ATOM 2 C LIG 1 1.695 -0.077 0.527 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.311 -0.301 0.355 0.00 0.00 +0.133 A ATOM 4 O LIG 1 -0.287 -0.594 1.546 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -1.701 -0.727 1.649 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -2.459 0.345 0.883 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -2.698 -0.115 -0.478 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -1.651 -0.471 -1.320 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.861 -0.976 -2.421 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.238 -0.206 -0.927 0.00 0.00 +0.078 A ATOM 11 C LIG 1 0.610 0.120 -2.003 0.00 0.00 +0.017 A ATOM 12 C LIG 1 1.976 0.352 -1.813 0.00 0.00 +0.009 A ENDROOT BRANCH 1 17 ATOM 13 C LIG 1 8.127 0.973 0.383 0.00 0.00 +0.404 C ATOM 14 N LIG 1 6.785 0.739 0.108 0.00 0.00 -0.263 N ATOM 15 C LIG 1 6.213 -0.606 0.169 0.00 0.00 +0.116 C ATOM 16 C LIG 1 4.723 -0.577 0.503 0.00 0.00 +0.054 C ATOM 17 C LIG 1 3.988 0.437 -0.334 0.00 0.00 -0.041 C ATOM 18 C LIG 1 4.655 1.471 -0.883 0.00 0.00 -0.004 C ATOM 19 C LIG 1 6.130 1.712 -0.749 0.00 0.00 +0.138 C ATOM 20 O LIG 1 8.708 2.007 0.079 0.00 0.00 -0.226 OA BRANCH 13 21 ATOM 21 O LIG 1 8.708 -0.071 1.021 0.00 0.00 -0.445 OA BRANCH 21 23 ATOM 22 C LIG 1 10.350 1.085 2.442 0.00 0.00 +0.055 C ATOM 23 C LIG 1 10.101 -0.029 1.421 0.00 0.00 +0.107 C ATOM 24 C LIG 1 10.344 -1.382 2.105 0.00 0.00 +0.055 C ATOM 25 C LIG 1 11.028 0.081 0.207 0.00 0.00 +0.055 C ENDBRANCH 21 23 ENDBRANCH 13 21 ENDBRANCH 1 17 BRANCH 7 26 ATOM 26 C LIG 1 -4.050 -0.593 -0.826 0.00 0.00 +0.140 C BRANCH 26 27 ATOM 27 C LIG 1 -4.689 0.235 -1.959 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 O LIG 1 -4.787 1.613 -1.567 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -3.873 1.890 -1.343 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -6.072 -0.301 -2.394 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 -7.042 -0.615 -1.320 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -7.391 0.592 -0.529 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -8.438 0.319 0.538 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -9.393 -0.694 0.360 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -10.378 -0.903 1.337 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -10.412 -0.113 2.486 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -9.458 0.886 2.670 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -9.313 -1.608 -0.842 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -8.485 1.109 1.694 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -8.273 -1.181 -1.911 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 8