REMARK Name = BDB032189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.492 1.834 0.878 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -4.220 0.756 0.410 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -5.590 0.723 -0.180 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -5.748 -0.681 -0.543 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -4.686 -1.455 -0.101 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -4.562 -2.663 -0.158 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -3.696 -0.533 0.466 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -2.448 -0.813 0.986 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -1.694 0.262 1.474 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -2.218 1.579 1.405 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -7.025 -1.272 -0.926 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -8.018 -1.320 0.247 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -7.719 -1.120 1.422 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -9.320 -1.609 -0.097 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.970 -1.623 0.678 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -9.894 -1.398 -1.324 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -11.114 -1.340 -1.452 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.952 -1.268 -2.498 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.675 -0.543 -2.099 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -3.393 4.167 1.308 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -4.095 3.053 0.769 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 -0.311 0.024 2.028 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 0.600 0.035 0.927 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 1.899 -0.110 1.293 0.00 0.00 +0.405 C ATOM 25 N LIG 1 2.662 -0.104 0.161 0.00 0.00 -0.250 N ATOM 26 H LIG 1 2.128 -0.007 -0.692 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 2.278 -0.221 2.447 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 4.058 -0.223 0.066 0.00 0.00 +0.055 A ATOM 29 C LIG 1 4.923 -0.366 1.146 0.00 0.00 +0.134 A ATOM 30 N LIG 1 6.271 -0.478 1.033 0.00 0.00 -0.253 NA ATOM 31 C LIG 1 6.806 -0.439 -0.210 0.00 0.00 +0.071 A ATOM 32 C LIG 1 6.013 -0.311 -1.348 0.00 0.00 +0.030 A ATOM 33 C LIG 1 4.630 -0.199 -1.205 0.00 0.00 +0.027 A BRANCH 31 34 ATOM 34 C LIG 1 8.269 -0.581 -0.285 0.00 0.00 +0.003 A ATOM 35 C LIG 1 9.117 0.419 -0.815 0.00 0.00 -0.041 A ATOM 36 C LIG 1 8.586 1.739 -1.309 0.00 0.00 +0.044 C ATOM 37 C LIG 1 10.502 0.183 -0.896 0.00 0.00 +0.004 A ATOM 38 C LIG 1 11.055 -1.009 -0.430 0.00 0.00 +0.000 A ATOM 39 C LIG 1 10.232 -1.983 0.123 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.855 -1.769 0.195 0.00 0.00 +0.010 A ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7