REMARK Name = BDB026942 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.296 -1.685 1.293 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.862 -2.814 0.437 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.847 -2.790 -0.966 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.372 -3.853 -1.706 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.916 -4.958 -1.057 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.938 -5.003 0.334 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.416 -3.942 1.075 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.249 -0.792 0.569 0.00 0.00 +0.188 C ATOM 9 O LIG 1 -0.577 0.177 -0.120 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.856 0.485 -0.328 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.684 -0.726 0.229 0.00 0.00 +0.126 A ATOM 12 N LIG 1 3.403 -1.187 0.518 0.00 0.00 -0.238 N ATOM 13 C LIG 1 2.256 -0.435 0.240 0.00 0.00 +0.077 A ATOM 14 C LIG 1 1.164 -1.174 0.664 0.00 0.00 +0.064 A ATOM 15 C LIG 1 1.745 -2.356 1.169 0.00 0.00 +0.146 A ATOM 16 C LIG 1 2.435 0.837 -0.382 0.00 0.00 +0.029 A ATOM 17 N LIG 1 3.075 -2.368 1.097 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 3.677 1.277 -0.659 0.00 0.00 +0.016 A BRANCH 10 21 ATOM 19 N LIG 1 6.463 2.275 -0.434 0.00 0.00 -0.312 N ATOM 20 H LIG 1 5.743 2.831 0.007 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 6.249 0.929 -0.621 0.00 0.00 +0.246 C ATOM 22 O LIG 1 7.121 0.136 -0.956 0.00 0.00 -0.270 OA BRANCH 19 24 ATOM 23 C LIG 1 8.600 2.703 0.696 0.00 0.00 +0.024 C ATOM 24 C LIG 1 7.781 2.858 -0.573 0.00 0.00 +0.101 C ENDBRANCH 19 24 ENDBRANCH 10 21 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.333 -0.944 2.055 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -3.035 -1.609 2.378 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.014 0.188 1.424 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.837 -0.120 0.167 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.626 1.086 -0.292 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -3.993 2.103 -1.019 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.711 3.227 -1.436 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.069 3.345 -1.126 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.704 2.334 -0.398 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.986 1.211 0.019 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.806 4.497 -1.553 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.405 5.431 -1.897 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10