REMARK Name = BDB020060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.934 -0.800 -0.479 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.932 -0.120 0.745 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -2.117 0.044 1.481 0.00 0.00 +0.002 A ATOM 4 C LIG 1 -3.302 -0.511 0.970 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -3.328 -1.176 -0.268 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.135 -1.301 -0.994 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.094 0.758 2.764 0.00 0.00 +0.083 A ATOM 8 C LIG 1 -2.747 1.968 3.007 0.00 0.00 +0.081 A ATOM 9 C LIG 1 -2.642 2.521 4.294 0.00 0.00 +0.016 A ATOM 10 C LIG 1 -1.895 1.878 5.274 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.268 0.696 4.938 0.00 0.00 +0.111 A ATOM 12 N LIG 1 -1.350 0.131 3.716 0.00 0.00 -0.254 NA BRANCH 8 13 ATOM 13 C LIG 1 -3.531 2.672 1.939 0.00 0.00 +0.419 C ATOM 14 F LIG 1 -2.851 2.821 0.771 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -3.904 3.935 2.300 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -4.694 2.033 1.629 0.00 0.00 -0.166 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 1.480 -1.077 -0.542 0.00 0.00 -0.304 N ATOM 18 H LIG 1 1.444 -1.135 0.464 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 0.314 -0.995 -1.268 0.00 0.00 +0.245 C ATOM 20 O LIG 1 0.259 -1.108 -2.486 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 2.766 -1.316 -1.164 0.00 0.00 +0.107 C BRANCH 21 24 ATOM 22 C LIG 1 5.269 1.528 -0.631 0.00 0.00 +0.124 A ATOM 23 C LIG 1 4.324 0.676 -1.211 0.00 0.00 +0.051 A ATOM 24 C LIG 1 3.808 -0.423 -0.510 0.00 0.00 -0.020 A ATOM 25 C LIG 1 4.253 -0.639 0.803 0.00 0.00 +0.051 A ATOM 26 C LIG 1 5.197 0.205 1.396 0.00 0.00 +0.124 A ATOM 27 C LIG 1 5.705 1.288 0.675 0.00 0.00 +0.091 A BRANCH 22 29 ATOM 28 C LIG 1 6.645 3.451 -0.914 0.00 0.00 +0.277 C ATOM 29 O LIG 1 5.680 2.550 -1.442 0.00 0.00 -0.495 OA ENDBRANCH 22 29 BRANCH 26 30 ATOM 30 O LIG 1 5.533 -0.137 2.678 0.00 0.00 -0.495 OA ATOM 31 C LIG 1 6.519 0.658 3.323 0.00 0.00 +0.277 C ENDBRANCH 26 30 ENDBRANCH 21 24 BRANCH 21 32 ATOM 32 C LIG 1 3.194 -2.768 -1.089 0.00 0.00 +0.014 C ATOM 33 C LIG 1 2.261 -3.891 -1.483 0.00 0.00 +0.006 C ATOM 34 C LIG 1 2.691 -3.748 -0.049 0.00 0.00 +0.006 C ENDBRANCH 21 32 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 35 ATOM 35 C LIG 1 -4.628 -1.722 -0.817 0.00 0.00 +0.159 C BRANCH 35 36 ATOM 36 N LIG 1 -5.175 -0.855 -1.836 0.00 0.00 -0.313 N ATOM 37 C LIG 1 -5.142 -1.091 -3.217 0.00 0.00 +0.204 A ATOM 38 N LIG 1 -4.654 -2.079 -3.877 0.00 0.00 -0.268 NA ATOM 39 H LIG 1 -4.234 -2.754 -3.242 0.00 0.00 +0.190 HD ATOM 40 N LIG 1 -5.778 0.025 -3.770 0.00 0.00 -0.320 N ATOM 41 C LIG 1 -5.823 0.278 -5.188 0.00 0.00 +0.152 C ATOM 42 C LIG 1 -6.125 0.918 -2.770 0.00 0.00 +0.106 A ATOM 43 C LIG 1 -5.772 0.381 -1.594 0.00 0.00 +0.107 A ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 10