REMARK Name = BDB065159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.194 -4.167 3.141 0.00 0.00 -0.274 OA ATOM 2 C LIG 1 -0.305 -3.430 2.293 0.00 0.00 +0.231 C ATOM 3 N LIG 1 -0.898 -3.973 1.180 0.00 0.00 -0.313 N ATOM 4 H LIG 1 -0.735 -4.968 1.078 0.00 0.00 +0.149 HD ATOM 5 C LIG 1 -1.202 -3.180 0.008 0.00 0.00 +0.123 C ATOM 6 C LIG 1 -1.666 -1.769 0.369 0.00 0.00 +0.128 C ATOM 7 N LIG 1 -0.698 -1.146 1.272 0.00 0.00 -0.275 N ATOM 8 C LIG 1 -0.449 0.217 1.337 0.00 0.00 +0.311 C ATOM 9 N LIG 1 -0.848 0.964 0.245 0.00 0.00 -0.230 N ATOM 10 C LIG 1 -1.293 2.327 0.447 0.00 0.00 +0.143 C ATOM 11 C LIG 1 -1.378 2.874 -1.002 0.00 0.00 +0.162 C ATOM 12 N LIG 1 -0.448 1.994 -1.772 0.00 0.00 -0.258 NA ATOM 13 C LIG 1 -0.191 0.989 -0.989 0.00 0.00 +0.132 C ATOM 14 O LIG 1 0.081 0.743 2.315 0.00 0.00 -0.252 OA ATOM 15 C LIG 1 -0.423 -1.914 2.490 0.00 0.00 +0.205 C ENDROOT BRANCH 13 16 ATOM 16 C LIG 1 0.743 -0.066 -1.415 0.00 0.00 +0.017 A ATOM 17 C LIG 1 1.974 -0.257 -0.771 0.00 0.00 +0.036 A ATOM 18 C LIG 1 2.937 -1.156 -1.290 0.00 0.00 +0.054 A ATOM 19 N LIG 1 4.227 -1.241 -0.644 0.00 0.00 -0.238 N ATOM 20 C LIG 1 5.448 -1.324 -1.344 0.00 0.00 +0.241 C ATOM 21 C LIG 1 5.359 -1.274 -2.860 0.00 0.00 +0.201 C ATOM 22 N LIG 1 4.785 -2.523 -3.294 0.00 0.00 -0.303 N ATOM 23 H LIG 1 5.383 -3.255 -3.661 0.00 0.00 +0.150 HD ATOM 24 C LIG 1 3.478 -2.860 -3.109 0.00 0.00 +0.246 C ATOM 25 O LIG 1 3.028 -3.932 -3.494 0.00 0.00 -0.270 OA ATOM 26 O LIG 1 6.561 -1.442 -0.822 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 2.595 -1.866 -2.462 0.00 0.00 +0.058 A ATOM 28 C LIG 1 1.345 -1.689 -3.083 0.00 0.00 +0.015 A ATOM 29 C LIG 1 0.433 -0.770 -2.578 0.00 0.00 +0.012 A BRANCH 19 30 ATOM 30 C LIG 1 4.240 -1.247 0.794 0.00 0.00 +0.041 A ATOM 31 C LIG 1 5.221 -0.549 1.515 0.00 0.00 +0.024 A ATOM 32 C LIG 1 5.254 -0.591 2.912 0.00 0.00 +0.002 A ATOM 33 C LIG 1 4.319 -1.349 3.611 0.00 0.00 +0.000 A ATOM 34 C LIG 1 3.352 -2.065 2.912 0.00 0.00 +0.002 A ATOM 35 C LIG 1 3.304 -2.006 1.516 0.00 0.00 +0.024 A ENDBRANCH 19 30 ENDBRANCH 13 16 BRANCH 10 36 ATOM 36 C LIG 1 -2.527 2.467 1.321 0.00 0.00 -0.024 A ATOM 37 C LIG 1 -3.622 1.592 1.213 0.00 0.00 +0.007 A ATOM 38 C LIG 1 -4.751 1.758 2.017 0.00 0.00 +0.020 A ATOM 39 C LIG 1 -4.797 2.801 2.940 0.00 0.00 +0.041 A ATOM 40 CL LIG 1 -6.189 3.008 3.929 0.00 0.00 -0.084 Cl ATOM 41 C LIG 1 -3.723 3.678 3.065 0.00 0.00 +0.020 A ATOM 42 C LIG 1 -2.595 3.513 2.258 0.00 0.00 +0.007 A ENDBRANCH 10 36 BRANCH 11 43 ATOM 43 C LIG 1 -2.754 2.951 -1.647 0.00 0.00 -0.021 A ATOM 44 C LIG 1 -3.270 1.912 -2.437 0.00 0.00 +0.007 A ATOM 45 C LIG 1 -4.550 2.002 -2.991 0.00 0.00 +0.020 A ATOM 46 C LIG 1 -5.327 3.133 -2.760 0.00 0.00 +0.041 A ATOM 47 CL LIG 1 -6.905 3.239 -3.437 0.00 0.00 -0.084 Cl ATOM 48 C LIG 1 -4.834 4.179 -1.985 0.00 0.00 +0.020 A ATOM 49 C LIG 1 -3.553 4.089 -1.434 0.00 0.00 +0.007 A ENDBRANCH 11 43 TORSDOF 4