REMARK Name = BDB024382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.477 0.335 0.662 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.300 -0.564 -0.556 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.689 -0.162 -1.845 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.537 -1.021 -2.936 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.000 -2.293 -2.755 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.617 -2.712 -1.483 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.769 -1.856 -0.391 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.055 2.425 0.261 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.120 3.414 0.065 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.293 1.854 0.368 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -2.245 2.629 0.197 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.846 0.845 0.439 0.00 0.00 +0.049 A ATOM 13 C LIG 1 2.675 0.101 0.637 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.397 0.570 0.597 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.219 1.868 0.343 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.298 2.716 0.149 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.601 2.201 0.203 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 6.425 1.000 -1.486 0.00 0.00 +0.029 C ATOM 19 C LIG 1 6.309 1.050 0.040 0.00 0.00 +0.088 C ATOM 20 N LIG 1 5.131 0.298 0.509 0.00 0.00 -0.316 N ATOM 21 C LIG 1 5.257 -1.185 0.512 0.00 0.00 +0.201 C ATOM 22 C LIG 1 6.676 -1.780 0.593 0.00 0.00 +0.233 C ATOM 23 O LIG 1 6.816 -3.003 0.698 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 7.764 -0.924 0.505 0.00 0.00 -0.301 N ATOM 25 C LIG 1 9.096 -1.458 0.721 0.00 0.00 +0.132 C ATOM 26 C LIG 1 7.571 0.499 0.726 0.00 0.00 +0.129 C ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 27 ATOM 27 N LIG 1 -2.747 0.059 1.402 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -2.670 -0.881 1.786 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.968 0.124 0.587 0.00 0.00 +0.089 C BRANCH 29 30 ATOM 30 C LIG 1 -5.243 0.132 1.467 0.00 0.00 +0.030 C ATOM 31 C LIG 1 -5.382 -1.134 2.323 0.00 0.00 +0.014 C BRANCH 30 32 ATOM 32 C LIG 1 -6.482 0.350 0.606 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -7.185 1.561 0.696 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -8.317 1.790 -0.090 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -8.761 0.810 -0.982 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -8.066 -0.398 -1.084 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -6.934 -0.625 -0.297 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -9.922 1.044 -1.789 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -10.863 1.232 -2.444 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9