REMARK Name = BDB009524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.153 -0.064 -2.586 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.487 -1.062 -3.494 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.433 -1.938 -3.925 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.792 -1.173 -3.961 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.766 -0.273 -3.520 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.442 0.747 -2.609 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.117 0.859 -2.163 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 N LIG 1 1.745 -0.857 -1.211 0.00 0.00 -0.296 N ATOM 9 C LIG 1 1.228 0.080 -2.107 0.00 0.00 +0.249 C ATOM 10 O LIG 1 1.852 1.069 -2.488 0.00 0.00 -0.270 OA BRANCH 8 12 ATOM 11 C LIG 1 0.315 -1.451 0.738 0.00 0.00 +0.024 C ATOM 12 C LIG 1 0.962 -1.912 -0.558 0.00 0.00 +0.105 C ENDBRANCH 8 12 BRANCH 8 13 ATOM 13 C LIG 1 3.121 -0.652 -0.749 0.00 0.00 +0.127 C BRANCH 13 14 ATOM 14 C LIG 1 3.277 0.509 0.246 0.00 0.00 +0.123 C BRANCH 14 15 ATOM 15 N LIG 1 4.652 0.688 0.683 0.00 0.00 -0.310 N ATOM 16 H LIG 1 5.240 1.280 0.111 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 5.216 -0.164 1.611 0.00 0.00 +0.246 C ATOM 18 O LIG 1 4.599 -1.087 2.132 0.00 0.00 -0.270 OA BRANCH 17 19 ATOM 19 C LIG 1 6.644 0.048 1.937 0.00 0.00 +0.055 A ATOM 20 C LIG 1 7.256 1.291 1.841 0.00 0.00 +0.123 A ATOM 21 N LIG 1 8.562 1.517 2.129 0.00 0.00 -0.263 NA ATOM 22 C LIG 1 9.282 0.455 2.553 0.00 0.00 +0.111 A ATOM 23 C LIG 1 8.759 -0.820 2.703 0.00 0.00 +0.020 A ATOM 24 C LIG 1 7.416 -1.023 2.392 0.00 0.00 +0.016 A ENDBRANCH 17 19 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 1 9 BRANCH 6 25 ATOM 25 C LIG 1 -3.491 1.737 -2.150 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 -4.713 1.072 -1.520 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -4.699 0.724 -0.064 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -3.494 1.003 0.788 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -3.534 0.305 2.151 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -4.916 0.410 2.784 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.980 -0.215 1.880 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -5.813 0.157 0.432 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -6.967 -0.122 -0.459 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -7.990 -0.656 -0.044 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -6.817 0.252 -1.767 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -7.597 0.074 -2.391 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -5.720 0.843 -2.309 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 8