REMARK Name = BDB021605 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.554 -2.818 -3.121 0.00 0.00 +0.053 C ATOM 2 C LIG 1 -1.067 -2.257 -1.788 0.00 0.00 +0.188 C ATOM 3 O LIG 1 0.319 -1.970 -1.959 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 1.061 -1.536 -0.900 0.00 0.00 +0.137 A ATOM 5 C LIG 1 0.705 -1.365 0.442 0.00 0.00 +0.079 A ATOM 6 C LIG 1 1.689 -0.878 1.332 0.00 0.00 +0.020 A ATOM 7 C LIG 1 2.991 -0.582 0.916 0.00 0.00 +0.046 A ATOM 8 C LIG 1 3.346 -0.766 -0.410 0.00 0.00 +0.124 A ATOM 9 C LIG 1 -0.621 -1.619 1.082 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.918 -0.953 2.077 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -1.486 -2.588 0.594 0.00 0.00 -0.291 N ATOM 12 C LIG 1 2.379 -1.238 -1.300 0.00 0.00 +0.092 A ATOM 13 C LIG 1 -1.268 -3.277 -0.672 0.00 0.00 +0.152 C ENDROOT BRANCH 8 14 ATOM 14 O LIG 1 4.567 -0.527 -0.972 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 5.641 -0.064 -0.146 0.00 0.00 +0.176 C ATOM 16 C LIG 1 5.596 1.455 -0.002 0.00 0.00 +0.060 C ATOM 17 C LIG 1 6.764 1.955 0.855 0.00 0.00 +0.088 C ATOM 18 N LIG 1 7.964 1.109 0.763 0.00 0.00 -0.300 NA ATOM 19 C LIG 1 8.101 0.505 -0.562 0.00 0.00 +0.088 C ATOM 20 C LIG 1 6.955 -0.473 -0.832 0.00 0.00 +0.060 C BRANCH 18 21 ATOM 21 C LIG 1 9.193 1.821 1.164 0.00 0.00 +0.118 C BRANCH 21 22 ATOM 22 C LIG 1 9.196 2.369 2.596 0.00 0.00 +0.228 C ATOM 23 F LIG 1 9.066 1.350 3.488 0.00 0.00 -0.248 F ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 14 15 ENDBRANCH 8 14 BRANCH 11 24 ATOM 24 C LIG 1 -2.775 -2.799 1.266 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 -3.953 -1.984 0.694 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 -4.197 -2.338 -0.677 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -4.720 -1.587 -1.029 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -3.768 -0.455 0.793 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -4.878 0.274 0.124 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -6.129 0.183 0.911 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -7.243 1.069 0.395 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -6.966 2.175 -0.428 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -8.012 2.996 -0.869 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -9.324 2.738 -0.474 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -9.601 1.656 0.358 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.555 2.434 -0.885 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -8.567 0.827 0.793 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -4.515 1.696 -0.031 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 11 24 TORSDOF 9