REMARK Name = BDB040284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.545 0.654 -0.063 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -4.138 0.403 -1.397 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.783 0.421 -1.779 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.846 0.705 -0.790 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.357 0.794 -0.881 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.052 1.123 0.477 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -1.053 1.220 1.330 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -1.131 1.458 2.521 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -2.247 0.957 0.515 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.573 0.943 0.906 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.415 1.328 0.832 0.00 0.00 +0.037 A ATOM 12 C LIG 1 2.440 1.143 -0.117 0.00 0.00 +0.027 A ATOM 13 C LIG 1 3.813 1.333 0.174 0.00 0.00 -0.039 A ATOM 14 C LIG 1 4.122 1.730 1.486 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.131 1.919 2.445 0.00 0.00 +0.002 A ATOM 16 C LIG 1 1.790 1.718 2.119 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 4.965 1.078 -0.928 0.00 0.00 +0.013 C ATOM 18 C LIG 1 6.144 2.115 -0.973 0.00 0.00 +0.087 C ATOM 19 C LIG 1 6.080 2.079 -2.511 0.00 0.00 +0.251 C ATOM 20 F LIG 1 6.930 1.218 -3.115 0.00 0.00 -0.206 F ATOM 21 F LIG 1 6.223 3.268 -3.135 0.00 0.00 -0.206 F ATOM 22 C LIG 1 4.630 1.573 -2.378 0.00 0.00 +0.087 C BRANCH 17 23 ATOM 23 C LIG 1 5.389 -0.413 -0.910 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 6.005 -0.827 0.384 0.00 0.00 +0.134 A ATOM 25 N LIG 1 5.431 -1.650 1.319 0.00 0.00 -0.320 N ATOM 26 C LIG 1 4.151 -2.301 1.258 0.00 0.00 +0.151 C ATOM 27 C LIG 1 6.319 -1.734 2.346 0.00 0.00 +0.224 A ATOM 28 N LIG 1 7.383 -1.020 2.066 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 7.189 -0.456 0.829 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 -2.353 0.145 -3.194 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -1.711 1.208 -3.752 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.378 -0.163 -4.032 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.477 -0.895 -3.270 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 -6.013 0.620 0.310 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 -6.528 -0.644 0.846 0.00 0.00 -0.299 NA ATOM 36 C LIG 1 -6.050 -0.960 2.184 0.00 0.00 +0.105 C BRANCH 35 38 ATOM 37 C LIG 1 -5.393 -2.740 -0.043 0.00 0.00 +0.024 C ATOM 38 C LIG 1 -6.575 -1.764 -0.104 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -7.886 -2.534 0.107 0.00 0.00 +0.024 C ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 8