REMARK Name = BDB021528 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.178 -3.615 -1.986 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -0.293 -2.306 -1.509 0.00 0.00 -0.331 N ATOM 3 C LIG 1 0.394 -1.847 -0.374 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -0.148 -1.578 0.898 0.00 0.00 +0.058 A ATOM 5 C LIG 1 0.689 -1.141 1.948 0.00 0.00 +0.015 A ATOM 6 C LIG 1 2.054 -0.935 1.758 0.00 0.00 +0.009 A ATOM 7 C LIG 1 2.617 -1.161 0.508 0.00 0.00 -0.020 A ATOM 8 C LIG 1 -1.573 -1.739 1.301 0.00 0.00 +0.249 C ATOM 9 O LIG 1 -1.805 -2.230 2.406 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -2.574 -1.273 0.460 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -2.305 -0.908 -0.923 0.00 0.00 +0.127 C ATOM 12 C LIG 1 1.784 -1.607 -0.531 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -1.742 -2.115 -1.670 0.00 0.00 +0.123 C ENDROOT BRANCH 7 14 ATOM 14 C LIG 1 4.052 -0.930 0.270 0.00 0.00 -0.041 C ATOM 15 C LIG 1 4.623 0.428 0.583 0.00 0.00 +0.054 C ATOM 16 C LIG 1 6.148 0.395 0.709 0.00 0.00 +0.116 C ATOM 17 N LIG 1 6.763 -0.407 -0.346 0.00 0.00 -0.263 N ATOM 18 C LIG 1 8.004 -0.102 -0.883 0.00 0.00 +0.404 C ATOM 19 O LIG 1 8.640 -0.875 -1.589 0.00 0.00 -0.226 OA ATOM 20 C LIG 1 6.302 -1.778 -0.493 0.00 0.00 +0.138 C ATOM 21 C LIG 1 4.838 -1.917 -0.199 0.00 0.00 -0.004 C BRANCH 18 22 ATOM 22 O LIG 1 8.425 1.141 -0.537 0.00 0.00 -0.445 OA BRANCH 22 23 ATOM 23 C LIG 1 9.697 1.660 -1.004 0.00 0.00 +0.107 C ATOM 24 C LIG 1 9.784 3.071 -0.400 0.00 0.00 +0.055 C ATOM 25 C LIG 1 9.725 1.781 -2.531 0.00 0.00 +0.055 C ATOM 26 C LIG 1 10.869 0.829 -0.471 0.00 0.00 +0.055 C ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 7 14 BRANCH 10 27 ATOM 27 C LIG 1 -3.966 -1.237 0.931 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 C LIG 1 -4.486 0.202 1.133 0.00 0.00 +0.146 C BRANCH 28 29 ATOM 29 O LIG 1 -3.757 0.836 2.195 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 -4.064 1.755 2.260 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -5.992 0.213 1.485 0.00 0.00 +0.117 C BRANCH 31 32 ATOM 32 N LIG 1 -6.884 -0.347 0.453 0.00 0.00 -0.295 NA ATOM 33 C LIG 1 -8.268 -0.470 0.958 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -9.048 0.827 1.003 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -8.691 1.915 0.185 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -9.451 3.091 0.219 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -10.573 3.181 1.043 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -10.940 2.099 1.840 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.457 1.842 -0.680 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -10.185 0.927 1.818 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -6.907 0.414 -0.807 0.00 0.00 +0.089 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8