REMARK Name = BDB042893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.642 -1.262 2.174 0.00 0.00 +0.187 A ATOM 2 C LIG 1 -2.727 -0.766 2.913 0.00 0.00 +0.280 A ATOM 3 N LIG 1 -3.338 -1.504 3.872 0.00 0.00 -0.106 NA ATOM 4 N LIG 1 -2.923 -2.768 4.069 0.00 0.00 -0.134 NA ATOM 5 C LIG 1 -1.925 -3.237 3.297 0.00 0.00 +0.247 A ATOM 6 N LIG 1 -1.253 -2.541 2.363 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 N LIG 1 3.194 -0.023 -0.286 0.00 0.00 -0.298 NA ATOM 8 C LIG 1 2.497 -0.539 0.899 0.00 0.00 +0.094 C ATOM 9 C LIG 1 1.159 -0.168 0.183 0.00 0.00 +0.013 C ATOM 10 C LIG 1 0.021 -1.173 0.358 0.00 0.00 +0.116 C ATOM 11 N LIG 1 -0.953 -0.491 1.230 0.00 0.00 -0.310 N ATOM 12 C LIG 1 -0.381 0.771 1.716 0.00 0.00 +0.107 C ATOM 13 C LIG 1 0.571 1.179 0.596 0.00 0.00 +0.030 C ATOM 14 C LIG 1 2.004 -0.232 -1.121 0.00 0.00 +0.094 C BRANCH 7 15 ATOM 15 C LIG 1 4.420 -0.712 -0.715 0.00 0.00 +0.059 C BRANCH 15 17 ATOM 16 C LIG 1 5.995 -2.756 -0.849 0.00 0.00 +0.009 C ATOM 17 C LIG 1 4.611 -2.245 -0.414 0.00 0.00 -0.000 C ATOM 18 C LIG 1 3.566 -3.142 -1.088 0.00 0.00 +0.009 C ENDBRANCH 15 17 BRANCH 15 19 ATOM 19 C LIG 1 5.594 0.120 -0.117 0.00 0.00 +0.020 C BRANCH 19 20 ATOM 20 C LIG 1 5.539 1.640 -0.350 0.00 0.00 +0.017 C BRANCH 20 21 ATOM 21 C LIG 1 5.417 2.124 -1.805 0.00 0.00 +0.084 C BRANCH 21 22 ATOM 22 N LIG 1 6.549 1.958 -2.722 0.00 0.00 -0.308 NA ATOM 23 C LIG 1 6.638 0.644 -3.341 0.00 0.00 +0.104 C ATOM 24 C LIG 1 7.827 2.381 -2.168 0.00 0.00 +0.104 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 O LIG 1 -3.186 0.523 2.666 0.00 0.00 -0.434 OA BRANCH 25 26 ATOM 26 C LIG 1 -4.496 0.766 3.003 0.00 0.00 +0.143 A ATOM 27 C LIG 1 -5.572 0.282 2.244 0.00 0.00 +0.082 A ATOM 28 C LIG 1 -6.888 0.548 2.635 0.00 0.00 +0.055 A ATOM 29 C LIG 1 -7.109 1.344 3.753 0.00 0.00 +0.124 A ATOM 30 F LIG 1 -8.366 1.623 4.125 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -6.048 1.869 4.490 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -4.735 1.582 4.113 0.00 0.00 +0.050 A BRANCH 27 33 ATOM 33 C LIG 1 -5.359 -0.546 1.044 0.00 0.00 +0.251 C ATOM 34 N LIG 1 -4.867 0.049 -0.139 0.00 0.00 -0.292 N ATOM 35 O LIG 1 -5.623 -1.743 1.155 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -4.577 -0.908 -1.235 0.00 0.00 +0.070 C ATOM 37 C LIG 1 -5.840 -1.320 -2.002 0.00 0.00 +0.028 C ATOM 38 C LIG 1 -3.470 -0.505 -2.207 0.00 0.00 +0.028 C ENDBRANCH 34 36 BRANCH 34 39 ATOM 39 C LIG 1 -4.901 1.522 -0.347 0.00 0.00 +0.070 C ATOM 40 C LIG 1 -5.877 1.966 -1.436 0.00 0.00 +0.028 C ATOM 41 C LIG 1 -3.520 2.153 -0.531 0.00 0.00 +0.028 C ENDBRANCH 34 39 ENDBRANCH 27 33 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 12