REMARK Name = BDB028046 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.470 0.871 0.273 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.612 1.692 0.608 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.719 2.903 0.679 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.746 0.808 0.900 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.031 1.154 1.274 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.951 0.121 1.499 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.535 -1.225 1.349 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.222 -1.560 0.963 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.335 -0.510 0.744 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.103 -0.537 0.335 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.093 0.730 -0.802 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.777 0.365 -0.421 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.776 1.301 -0.092 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.118 2.654 -0.140 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.404 3.055 -0.500 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.370 2.107 -0.826 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.205 -0.365 -1.178 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -6.101 -0.102 -2.423 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -5.941 -1.483 -2.852 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -4.734 -1.570 -2.046 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -5.968 -0.859 0.069 0.00 0.00 +0.092 C BRANCH 21 24 ATOM 22 C LIG 1 -9.058 -1.283 0.020 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -8.364 -0.123 0.514 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -7.009 0.094 0.554 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -6.798 1.277 1.096 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 -8.014 1.846 1.386 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -8.944 0.992 1.034 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.784 -2.992 0.813 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.905 -3.363 1.785 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.142 -3.216 -0.367 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.804 -3.891 0.862 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.370 0.445 1.920 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 6.384 -0.132 1.020 0.00 0.00 -0.297 NA ATOM 34 C LIG 1 6.312 0.408 -0.353 0.00 0.00 +0.109 C ATOM 35 C LIG 1 7.666 0.775 -0.968 0.00 0.00 +0.174 C ATOM 36 C LIG 1 8.672 -0.330 -0.717 0.00 0.00 +0.267 C ATOM 37 F LIG 1 9.917 0.119 -1.048 0.00 0.00 -0.204 F ATOM 38 F LIG 1 8.430 -1.397 -1.528 0.00 0.00 -0.204 F ATOM 39 C LIG 1 8.710 -0.821 0.725 0.00 0.00 +0.092 C ATOM 40 C LIG 1 7.721 -0.071 1.610 0.00 0.00 +0.090 C BRANCH 35 41 ATOM 41 C LIG 1 7.520 1.031 -2.406 0.00 0.00 +0.073 C ATOM 42 N LIG 1 7.371 1.259 -3.535 0.00 0.00 -0.196 NA ENDBRANCH 35 41 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8