REMARK Name = BDB024238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.672 -0.630 0.653 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 3.005 -1.468 -0.576 0.00 0.00 -0.022 A ATOM 3 C LIG 1 2.517 -1.150 -1.855 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.842 -1.941 -2.959 0.00 0.00 +0.000 A ATOM 5 C LIG 1 3.670 -3.051 -2.803 0.00 0.00 +0.000 A ATOM 6 C LIG 1 4.180 -3.366 -1.546 0.00 0.00 +0.000 A ATOM 7 C LIG 1 3.855 -2.577 -0.441 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.251 -0.923 0.379 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.539 -1.864 0.149 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 1.245 0.001 0.668 0.00 0.00 +0.240 C ATOM 11 O LIG 1 1.079 1.180 0.977 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -3.893 -0.235 0.193 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -2.944 0.745 0.505 0.00 0.00 +0.136 A ATOM 14 N LIG 1 -1.599 0.565 0.578 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 -1.122 -0.657 0.325 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -1.963 -1.710 -0.007 0.00 0.00 +0.045 A ATOM 17 C LIG 1 -3.345 -1.491 -0.073 0.00 0.00 +0.028 A BRANCH 12 21 ATOM 18 C LIG 1 -8.118 0.637 0.123 0.00 0.00 +0.121 C ATOM 19 C LIG 1 -7.439 -0.205 -0.963 0.00 0.00 +0.050 C ATOM 20 C LIG 1 -6.194 -0.930 -0.455 0.00 0.00 +0.107 C ATOM 21 N LIG 1 -5.256 0.028 0.134 0.00 0.00 -0.329 N ATOM 22 C LIG 1 -5.806 1.071 1.012 0.00 0.00 +0.107 C ATOM 23 C LIG 1 -7.255 0.778 1.374 0.00 0.00 +0.050 C BRANCH 18 25 ATOM 24 C LIG 1 -10.439 0.360 -0.343 0.00 0.00 +0.194 C ATOM 25 O LIG 1 -9.358 0.043 0.527 0.00 0.00 -0.380 OA ENDBRANCH 18 25 ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 3.712 0.373 0.997 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 3.311 0.947 1.745 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 4.059 1.280 -0.109 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.971 2.427 0.360 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 6.368 1.982 0.728 0.00 0.00 -0.046 A ATOM 31 C LIG 1 7.336 1.791 -0.267 0.00 0.00 +0.005 A ATOM 32 C LIG 1 8.623 1.364 0.070 0.00 0.00 +0.019 A ATOM 33 C LIG 1 8.954 1.122 1.406 0.00 0.00 +0.052 A ATOM 34 C LIG 1 7.992 1.307 2.403 0.00 0.00 +0.019 A ATOM 35 C LIG 1 6.706 1.734 2.065 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 10.273 0.680 1.752 0.00 0.00 +0.099 C ATOM 37 N LIG 1 11.342 0.322 2.030 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10