REMARK Name = BDB021588 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.188 0.045 1.896 0.00 0.00 +0.057 C ATOM 2 C LIG 1 -0.585 1.511 2.112 0.00 0.00 +0.121 C ATOM 3 O LIG 1 -1.920 1.733 1.670 0.00 0.00 -0.484 OA ATOM 4 C LIG 1 -2.245 1.859 0.356 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -1.437 1.930 -0.779 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -2.079 2.060 -2.034 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -3.469 2.114 -2.163 0.00 0.00 +0.006 A ATOM 8 C LIG 1 -4.279 2.031 -1.035 0.00 0.00 -0.030 A ATOM 9 C LIG 1 0.055 1.903 -0.872 0.00 0.00 +0.250 C ATOM 10 O LIG 1 0.555 1.613 -1.963 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 0.885 2.224 0.197 0.00 0.00 -0.291 N ATOM 12 C LIG 1 -3.649 1.921 0.211 0.00 0.00 +0.051 A ATOM 13 C LIG 1 0.382 2.550 1.523 0.00 0.00 +0.155 C ATOM 14 C LIG 1 -0.653 1.752 3.635 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 -5.789 2.074 -1.153 0.00 0.00 +0.119 C BRANCH 15 16 ATOM 16 N LIG 1 -6.491 0.796 -1.310 0.00 0.00 -0.297 NA ATOM 17 C LIG 1 -6.484 -0.079 -0.126 0.00 0.00 +0.096 C ATOM 18 C LIG 1 -5.982 -1.438 -0.607 0.00 0.00 +0.031 C ATOM 19 C LIG 1 -7.048 -2.552 -0.623 0.00 0.00 +0.170 C ATOM 20 O LIG 1 -6.478 -3.154 0.567 0.00 0.00 -0.378 OA ATOM 21 C LIG 1 -5.291 -2.335 0.432 0.00 0.00 +0.170 C ATOM 22 C LIG 1 -5.276 -1.159 -1.919 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -6.103 -0.008 -2.473 0.00 0.00 +0.085 C ENDBRANCH 15 16 ENDBRANCH 8 15 BRANCH 11 24 ATOM 24 C LIG 1 2.272 2.637 -0.112 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 3.257 1.512 -0.526 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 3.106 1.183 -1.909 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 2.141 1.169 -2.098 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.126 0.257 0.367 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 4.177 -0.776 0.315 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 5.475 -0.302 0.817 0.00 0.00 +0.120 C ATOM 31 C LIG 1 6.556 -1.363 0.763 0.00 0.00 -0.030 A ATOM 32 C LIG 1 6.440 -2.463 -0.107 0.00 0.00 -0.042 A ATOM 33 C LIG 1 7.465 -3.416 -0.166 0.00 0.00 +0.004 A ATOM 34 C LIG 1 8.611 -3.267 0.614 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.738 -2.169 1.462 0.00 0.00 +0.000 A ATOM 36 C LIG 1 5.184 -2.647 -0.923 0.00 0.00 +0.051 C ATOM 37 C LIG 1 7.718 -1.220 1.535 0.00 0.00 +0.005 A ATOM 38 C LIG 1 4.346 -1.364 -1.020 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 11 24 TORSDOF 7