REMARK Name = BDB028049 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.493 -1.377 -1.115 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.835 -0.274 -0.561 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.240 0.642 0.129 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.577 -0.377 -0.951 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.618 0.481 -0.650 0.00 0.00 +0.018 A ATOM 6 C LIG 1 2.894 0.158 -1.130 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.071 -1.016 -1.905 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.998 -1.877 -2.206 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.745 -1.530 -1.709 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.567 -2.232 -1.846 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -5.156 -1.098 -0.207 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.775 -0.823 -0.347 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.878 -1.681 -1.004 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -3.397 -2.858 -1.557 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.754 -3.164 -1.449 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.616 -2.295 -0.784 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -6.149 -0.079 0.552 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -7.123 -0.731 1.575 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -6.864 0.322 2.536 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.616 0.622 1.843 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -6.856 0.806 -0.499 0.00 0.00 +0.092 C BRANCH 21 24 ATOM 22 C LIG 1 -9.626 1.637 0.804 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -8.506 2.485 0.510 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -7.301 2.158 -0.056 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -6.584 3.261 -0.167 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 -7.311 4.307 0.344 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -8.459 3.825 0.753 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.191 -3.129 -3.017 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.919 -4.252 -2.297 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.360 -3.175 -4.096 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.450 -3.286 -3.505 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.075 1.058 -0.831 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.155 0.365 -0.113 0.00 0.00 -0.297 NA ATOM 34 C LIG 1 6.424 1.107 -0.218 0.00 0.00 +0.099 C ATOM 35 C LIG 1 7.433 0.866 0.924 0.00 0.00 +0.072 C ATOM 36 C LIG 1 8.861 1.141 0.454 0.00 0.00 +0.174 C ATOM 37 O LIG 1 9.600 1.696 1.552 0.00 0.00 -0.379 OA ATOM 38 C LIG 1 8.710 1.923 2.644 0.00 0.00 +0.160 C ATOM 39 C LIG 1 7.308 1.863 2.077 0.00 0.00 +0.044 C ATOM 40 C LIG 1 7.271 -0.582 1.381 0.00 0.00 +0.259 C ATOM 41 F LIG 1 7.578 -1.412 0.344 0.00 0.00 -0.205 F ATOM 42 F LIG 1 8.150 -0.893 2.367 0.00 0.00 -0.205 F ATOM 43 C LIG 1 5.865 -0.909 1.867 0.00 0.00 +0.091 C ATOM 44 C LIG 1 4.801 -0.001 1.252 0.00 0.00 +0.090 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7