REMARK Name = BDB042940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.215 -0.671 2.205 0.00 0.00 +0.280 A ATOM 2 C LIG 1 -2.841 -1.397 1.063 0.00 0.00 +0.187 A ATOM 3 N LIG 1 -3.283 -2.663 0.892 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 -4.030 -3.165 1.889 0.00 0.00 +0.247 A ATOM 5 N LIG 1 -4.369 -2.522 3.019 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 -3.945 -1.250 3.185 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.972 -0.864 0.095 0.00 0.00 -0.310 N ATOM 8 C LIG 1 -0.560 -0.888 0.538 0.00 0.00 +0.116 C ATOM 9 C LIG 1 0.248 -1.007 -0.764 0.00 0.00 +0.013 C ATOM 10 C LIG 1 1.266 -2.190 -0.800 0.00 0.00 +0.094 C ATOM 11 N LIG 1 2.268 -1.240 -0.275 0.00 0.00 -0.298 NA ATOM 12 C LIG 1 1.524 -0.123 -0.884 0.00 0.00 +0.094 C ATOM 13 C LIG 1 -0.767 -0.944 -1.899 0.00 0.00 +0.030 C ATOM 14 C LIG 1 -2.029 -1.482 -1.232 0.00 0.00 +0.107 C BRANCH 11 15 ATOM 15 C LIG 1 3.642 -1.495 -0.758 0.00 0.00 +0.059 C BRANCH 15 16 ATOM 16 C LIG 1 3.938 -1.273 -2.281 0.00 0.00 -0.000 C ATOM 17 C LIG 1 4.938 -2.305 -2.821 0.00 0.00 +0.009 C ATOM 18 C LIG 1 4.402 0.138 -2.663 0.00 0.00 +0.009 C ENDBRANCH 15 16 BRANCH 15 19 ATOM 19 C LIG 1 4.562 -0.716 0.223 0.00 0.00 +0.019 C BRANCH 19 20 ATOM 20 C LIG 1 6.037 -1.128 0.183 0.00 0.00 +0.003 C BRANCH 20 21 ATOM 21 C LIG 1 6.859 -0.569 1.354 0.00 0.00 +0.015 C BRANCH 21 22 ATOM 22 C LIG 1 6.989 0.961 1.324 0.00 0.00 +0.084 C BRANCH 22 23 ATOM 23 N LIG 1 7.762 1.494 2.461 0.00 0.00 -0.308 NA ATOM 24 C LIG 1 7.611 2.950 2.529 0.00 0.00 +0.104 C ATOM 25 C LIG 1 9.183 1.153 2.372 0.00 0.00 +0.104 C ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 2 7 BRANCH 1 26 ATOM 26 O LIG 1 -2.805 0.615 2.477 0.00 0.00 -0.434 OA BRANCH 26 28 ATOM 27 C LIG 1 -4.377 1.896 1.062 0.00 0.00 +0.082 A ATOM 28 C LIG 1 -3.097 1.593 1.552 0.00 0.00 +0.143 A ATOM 29 C LIG 1 -2.011 2.398 1.174 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -2.186 3.454 0.280 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -3.457 3.735 -0.202 0.00 0.00 +0.124 A ATOM 32 F LIG 1 -3.631 4.764 -1.040 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -4.555 2.984 0.196 0.00 0.00 +0.055 A BRANCH 27 35 ATOM 34 N LIG 1 -6.393 0.476 0.697 0.00 0.00 -0.295 N ATOM 35 C LIG 1 -5.593 1.234 1.567 0.00 0.00 +0.250 C ATOM 36 O LIG 1 -5.876 1.444 2.744 0.00 0.00 -0.270 OA BRANCH 34 37 ATOM 37 C LIG 1 -6.066 0.189 -0.721 0.00 0.00 +0.070 C ATOM 38 C LIG 1 -6.967 0.964 -1.684 0.00 0.00 +0.028 C ATOM 39 C LIG 1 -6.114 -1.305 -1.053 0.00 0.00 +0.028 C ENDBRANCH 34 37 BRANCH 34 41 ATOM 40 C LIG 1 -8.725 1.079 1.333 0.00 0.00 +0.024 C ATOM 41 C LIG 1 -7.661 -0.009 1.254 0.00 0.00 +0.105 C ENDBRANCH 34 41 ENDBRANCH 27 35 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 13