REMARK Name = BDB015214 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.395 0.293 -2.164 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -0.333 -0.389 -1.546 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.897 0.234 -1.296 0.00 0.00 +0.121 A ATOM 4 C LIG 1 1.076 1.563 -1.672 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.034 2.261 -2.286 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.188 1.632 -2.530 0.00 0.00 +0.009 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 -6.413 -0.165 -1.995 0.00 0.00 -0.321 N ATOM 8 C LIG 1 -5.095 -0.444 -2.265 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -5.140 -1.662 -2.937 0.00 0.00 +0.089 A ATOM 10 C LIG 1 -3.946 -2.261 -3.357 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -2.733 -1.607 -3.093 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -2.685 -0.373 -2.420 0.00 0.00 -0.016 A ATOM 13 N LIG 1 -6.434 -2.096 -3.088 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 -3.891 0.224 -1.996 0.00 0.00 +0.036 A ATOM 15 C LIG 1 -7.175 -1.164 -2.537 0.00 0.00 +0.200 A BRANCH 7 16 ATOM 16 C LIG 1 -6.948 1.001 -1.317 0.00 0.00 +0.219 C BRANCH 16 18 ATOM 17 O LIG 1 -5.682 2.326 0.195 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 -6.312 1.276 0.032 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -6.478 0.359 1.063 0.00 0.00 -0.300 N ATOM 20 C LIG 1 -7.297 -0.854 0.986 0.00 0.00 +0.108 C ATOM 21 C LIG 1 -7.810 -1.282 2.357 0.00 0.00 +0.019 C ATOM 22 C LIG 1 -6.670 -1.533 3.343 0.00 0.00 +0.003 C ATOM 23 C LIG 1 -5.426 -0.698 3.042 0.00 0.00 +0.019 C ATOM 24 C LIG 1 -5.767 0.601 2.321 0.00 0.00 +0.108 C ENDBRANCH 16 18 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 O LIG 1 1.825 -0.572 -0.696 0.00 0.00 -0.489 OA BRANCH 25 26 ATOM 26 C LIG 1 3.099 -0.012 -0.337 0.00 0.00 +0.261 C BRANCH 26 27 ATOM 27 C LIG 1 4.072 -0.135 -1.518 0.00 0.00 +0.166 C BRANCH 27 28 ATOM 28 O LIG 1 4.286 -1.516 -1.845 0.00 0.00 -0.387 OA ATOM 29 H LIG 1 3.400 -1.927 -1.849 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 5.417 0.585 -1.274 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 6.029 0.406 0.060 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 7.156 1.353 0.213 0.00 0.00 +0.120 C ATOM 33 C LIG 1 7.950 1.162 1.488 0.00 0.00 -0.030 A ATOM 34 C LIG 1 7.922 -0.062 2.177 0.00 0.00 -0.042 A ATOM 35 C LIG 1 8.694 -0.229 3.334 0.00 0.00 +0.004 A ATOM 36 C LIG 1 9.508 0.805 3.792 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.554 2.014 3.102 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.011 -1.165 1.706 0.00 0.00 +0.051 C ATOM 39 C LIG 1 8.783 2.191 1.953 0.00 0.00 +0.005 A ATOM 40 C LIG 1 6.527 -0.967 0.261 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 9