REMARK Name = BDB025169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.096 -0.330 -0.350 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.019 -1.069 0.173 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.175 -2.521 0.437 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.115 -2.774 1.630 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.866 -3.274 0.723 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.751 -2.765 -0.161 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.571 -1.307 0.142 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.290 -0.722 0.234 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.061 -1.313 0.102 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.834 -0.356 0.252 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.212 0.852 0.517 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.154 0.636 0.485 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.262 1.471 0.648 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.531 0.884 0.545 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.709 -0.483 0.291 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.085 0.859 -0.652 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.835 2.150 0.773 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.796 2.152 1.969 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.274 3.568 2.304 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.615 4.421 1.070 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.710 3.598 -0.217 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.452 2.769 -0.495 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -1.613 5.543 0.882 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.415 5.491 1.101 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.175 6.660 0.386 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.430 7.291 0.298 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.323 -0.408 -1.106 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.207 -1.103 -0.548 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.315 -0.568 0.166 0.00 0.00 +0.075 C BRANCH 29 30 ATOM 30 C LIG 1 -2.677 -1.726 -0.773 0.00 0.00 +0.011 C BRANCH 30 31 ATOM 31 C LIG 1 -4.195 -1.952 -0.884 0.00 0.00 -0.006 C ATOM 32 C LIG 1 -4.505 -3.216 -1.691 0.00 0.00 +0.031 C ATOM 33 C LIG 1 -6.012 -3.469 -1.757 0.00 0.00 +0.160 C ATOM 34 O LIG 1 -6.794 -2.281 -1.619 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -6.194 -1.159 -2.254 0.00 0.00 +0.160 C ATOM 36 C LIG 1 -4.925 -0.750 -1.509 0.00 0.00 +0.031 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7