REMARK Name = BDB052345 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.886 0.249 0.511 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -1.746 1.304 0.948 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.985 0.720 1.094 0.00 0.00 +0.118 A ATOM 4 N LIG 1 -2.840 -0.576 0.699 0.00 0.00 -0.261 N ATOM 5 N LIG 1 -1.566 -0.908 0.417 0.00 0.00 -0.170 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -1.479 2.687 1.274 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -2.189 3.719 0.630 0.00 0.00 +0.026 A ATOM 8 C LIG 1 -1.860 5.022 0.991 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -2.645 5.876 0.265 0.00 0.00 -0.346 N ATOM 10 H LIG 1 -2.600 6.881 0.348 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -3.468 5.160 -0.566 0.00 0.00 +0.085 A ATOM 12 N LIG 1 -0.937 5.420 1.886 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -0.288 4.387 2.470 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -3.206 3.821 -0.365 0.00 0.00 +0.029 A ATOM 15 C LIG 1 -0.506 3.042 2.213 0.00 0.00 +0.029 A ENDBRANCH 2 6 BRANCH 1 19 ATOM 16 C LIG 1 3.310 0.384 -0.376 0.00 0.00 +0.035 A ATOM 17 C LIG 1 2.461 1.419 -0.789 0.00 0.00 +0.024 A ATOM 18 C LIG 1 1.090 1.377 -0.508 0.00 0.00 +0.012 A ATOM 19 C LIG 1 0.543 0.301 0.200 0.00 0.00 +0.003 A ATOM 20 C LIG 1 1.392 -0.736 0.603 0.00 0.00 +0.012 A ATOM 21 C LIG 1 2.765 -0.692 0.324 0.00 0.00 +0.024 A BRANCH 16 24 ATOM 22 O LIG 1 5.520 -1.558 -0.073 0.00 0.00 -0.252 OA ATOM 23 C LIG 1 5.688 -0.421 -0.492 0.00 0.00 +0.308 C ATOM 24 N LIG 1 4.679 0.513 -0.689 0.00 0.00 -0.269 N ATOM 25 H LIG 1 4.929 1.325 -1.232 0.00 0.00 +0.156 HD ATOM 26 N LIG 1 6.916 0.127 -0.838 0.00 0.00 -0.269 N ATOM 27 H LIG 1 6.939 1.129 -0.942 0.00 0.00 +0.156 HD BRANCH 26 28 ATOM 28 C LIG 1 8.168 -0.522 -0.880 0.00 0.00 +0.035 A ATOM 29 C LIG 1 8.338 -1.900 -0.734 0.00 0.00 +0.023 A ATOM 30 C LIG 1 9.615 -2.468 -0.798 0.00 0.00 +0.002 A ATOM 31 C LIG 1 10.731 -1.664 -1.014 0.00 0.00 +0.000 A ATOM 32 C LIG 1 10.573 -0.290 -1.168 0.00 0.00 +0.002 A ATOM 33 C LIG 1 9.297 0.277 -1.103 0.00 0.00 +0.023 A ENDBRANCH 26 28 ENDBRANCH 16 24 ENDBRANCH 1 19 BRANCH 4 34 ATOM 34 C LIG 1 -3.856 -1.616 0.721 0.00 0.00 +0.239 C BRANCH 34 35 ATOM 35 C LIG 1 -4.993 -1.374 -0.255 0.00 0.00 +0.237 C ATOM 36 N LIG 1 -5.964 -2.379 -0.346 0.00 0.00 -0.296 N ATOM 37 C LIG 1 -6.955 -2.263 -1.422 0.00 0.00 +0.136 C ATOM 38 C LIG 1 -8.229 -3.053 -1.117 0.00 0.00 +0.179 C ATOM 39 O LIG 1 -7.925 -4.416 -0.789 0.00 0.00 -0.377 OA ATOM 40 C LIG 1 -7.095 -4.473 0.377 0.00 0.00 +0.179 C ATOM 41 C LIG 1 -5.765 -3.748 0.148 0.00 0.00 +0.136 C ATOM 42 O LIG 1 -5.097 -0.334 -0.908 0.00 0.00 -0.274 OA ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 6