REMARK Name = BDB040124 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.417 -0.070 1.428 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.160 0.206 1.978 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.162 0.714 3.036 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.843 -0.243 1.004 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.221 -0.181 1.093 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.970 -0.670 0.015 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -2.301 -1.213 -1.111 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -0.897 -1.270 -1.185 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.183 -0.771 -0.099 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.292 -0.689 0.115 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 5.163 0.107 1.905 0.00 0.00 -0.033 A ATOM 12 C LIG 1 3.877 -0.123 1.356 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.680 0.191 2.030 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.786 0.763 3.299 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.033 1.011 3.872 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.200 0.689 3.183 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 6.519 -0.248 1.099 0.00 0.00 +0.062 C ATOM 18 C LIG 1 6.523 -1.577 0.291 0.00 0.00 +0.175 C ATOM 19 O LIG 1 7.789 -1.968 0.868 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 7.633 -0.973 1.910 0.00 0.00 +0.175 C BRANCH 17 21 ATOM 21 C LIG 1 6.947 1.009 0.324 0.00 0.00 +0.161 C BRANCH 21 24 ATOM 22 C LIG 1 7.119 0.814 -2.803 0.00 0.00 +0.087 C ATOM 23 C LIG 1 8.258 0.835 -1.858 0.00 0.00 +0.125 A ATOM 24 N LIG 1 8.147 0.900 -0.492 0.00 0.00 -0.248 N ATOM 25 N LIG 1 9.359 1.020 0.083 0.00 0.00 -0.158 NA ATOM 26 C LIG 1 10.167 0.925 -0.974 0.00 0.00 +0.245 A ATOM 27 N LIG 1 9.536 0.821 -2.178 0.00 0.00 -0.220 NA ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -0.188 -1.835 -2.385 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.608 -0.909 -2.990 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.641 -2.863 -2.051 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.016 -2.314 -3.349 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -4.489 -0.631 0.053 0.00 0.00 +0.120 C BRANCH 32 33 ATOM 33 N LIG 1 -5.080 0.108 -1.071 0.00 0.00 -0.293 NA ATOM 34 C LIG 1 -6.574 0.062 -1.119 0.00 0.00 +0.074 C ATOM 35 C LIG 1 -7.251 0.889 0.022 0.00 0.00 +0.103 C ATOM 36 N LIG 1 -6.808 2.296 0.039 0.00 0.00 -0.303 NA ATOM 37 C LIG 1 -7.398 3.022 1.159 0.00 0.00 +0.105 C ATOM 38 C LIG 1 -5.339 2.381 0.067 0.00 0.00 +0.099 C ATOM 39 C LIG 1 -4.686 1.542 -1.056 0.00 0.00 +0.100 C BRANCH 34 40 ATOM 40 C LIG 1 -7.253 -1.333 -1.316 0.00 0.00 +0.001 C ATOM 41 C LIG 1 -7.509 -2.160 -0.053 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -6.545 -2.176 -2.383 0.00 0.00 +0.009 C ENDBRANCH 34 40 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8