REMARK Name = BDB024964 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.755 -0.578 -1.670 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.581 -1.133 -1.127 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.607 -2.538 -0.666 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.105 -2.632 0.783 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.266 -3.237 -0.877 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.169 -2.513 -0.131 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.197 -1.039 -0.424 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.028 -0.279 -0.188 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.185 -0.704 0.287 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.976 0.349 0.303 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.291 1.476 -0.118 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.996 1.082 -0.447 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.112 1.757 -0.940 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.278 1.004 -1.153 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.359 -0.379 -0.909 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.890 0.543 -2.150 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.790 2.843 -0.255 0.00 0.00 +0.115 C ATOM 18 C LIG 1 -1.478 3.400 1.003 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -2.900 3.339 0.877 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -3.409 4.199 -0.145 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -2.526 4.252 -1.392 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -1.651 3.013 -1.516 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 8.040 -0.940 -2.149 0.00 0.00 +0.282 C ATOM 24 O LIG 1 6.809 -1.452 -1.625 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.418 0.303 0.718 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -2.910 -1.135 0.976 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -4.307 -1.139 1.587 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -4.481 -1.536 2.925 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -5.751 -1.538 3.505 0.00 0.00 +0.038 A ATOM 30 C LIG 1 -6.850 -1.145 2.752 0.00 0.00 +0.123 A ATOM 31 F LIG 1 -8.069 -1.151 3.307 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -6.702 -0.747 1.428 0.00 0.00 +0.038 A ATOM 33 C LIG 1 -5.433 -0.740 0.846 0.00 0.00 +0.007 A ENDBRANCH 26 27 BRANCH 26 34 ATOM 34 C LIG 1 -2.834 -2.025 -0.253 0.00 0.00 +0.313 C ATOM 35 O LIG 1 -2.637 -3.232 -0.249 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -3.090 -1.399 -1.420 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -2.949 -2.110 -2.080 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 26 34 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7