REMARK Name = BDB028064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.765 -0.931 -0.165 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.150 -1.050 0.882 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.009 -1.081 2.090 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.481 -1.131 0.264 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.712 -1.252 0.882 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.852 -1.300 0.069 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.708 -1.229 -1.339 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.447 -1.109 -1.953 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.335 -1.060 -1.117 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.114 -0.931 -1.460 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.993 -0.908 1.414 0.00 0.00 +0.217 A ATOM 12 N LIG 1 -2.662 -0.947 1.245 0.00 0.00 -0.198 NA ATOM 13 C LIG 1 -2.164 -0.863 0.003 0.00 0.00 +0.132 A ATOM 14 C LIG 1 -3.013 -0.709 -1.097 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -4.416 -0.649 -0.946 0.00 0.00 -0.028 A ATOM 16 C LIG 1 -4.888 -0.766 0.369 0.00 0.00 +0.071 A BRANCH 15 17 ATOM 17 C LIG 1 -5.409 -0.426 -2.189 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -6.696 -1.294 -2.275 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -6.422 -1.622 -3.662 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.059 -1.170 -3.507 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -5.647 1.078 -2.444 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -6.315 1.754 -1.295 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -5.734 2.666 -0.450 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -4.394 3.183 -0.492 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.684 2.989 0.469 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.787 2.329 0.209 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.557 1.556 -0.901 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 15 17 BRANCH 11 28 ATOM 28 O LIG 1 -4.533 -1.003 2.678 0.00 0.00 -0.477 OA BRANCH 28 30 ATOM 29 C LIG 1 -3.183 -2.600 3.924 0.00 0.00 +0.048 C ATOM 30 C LIG 1 -3.574 -1.144 3.731 0.00 0.00 +0.227 C ENDBRANCH 28 30 ENDBRANCH 11 28 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 2.301 -1.009 -3.447 0.00 0.00 +0.418 C ATOM 32 F LIG 1 1.378 -1.886 -3.932 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.872 0.223 -3.835 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.448 -1.249 -4.135 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.231 -1.428 0.688 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 N LIG 1 6.111 -0.291 0.367 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 5.599 0.977 0.926 0.00 0.00 +0.093 C ATOM 38 C LIG 1 6.713 2.010 1.079 0.00 0.00 +0.069 C ATOM 39 C LIG 1 6.168 3.382 1.470 0.00 0.00 +0.015 C ATOM 40 C LIG 1 7.715 1.489 2.106 0.00 0.00 +0.254 C ATOM 41 F LIG 1 7.309 1.808 3.366 0.00 0.00 -0.205 F ATOM 42 F LIG 1 8.903 2.125 1.924 0.00 0.00 -0.205 F ATOM 43 C LIG 1 7.928 -0.015 2.058 0.00 0.00 +0.091 C ATOM 44 C LIG 1 7.515 -0.571 0.705 0.00 0.00 +0.090 C ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9