REMARK Name = BDB059775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.020 -0.790 -0.180 0.00 0.00 +0.113 A ATOM 2 N LIG 1 -0.031 0.326 -0.988 0.00 0.00 -0.292 N ATOM 3 C LIG 1 0.848 1.364 -0.744 0.00 0.00 +0.258 A ATOM 4 O LIG 1 0.871 2.409 -1.394 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 1.805 1.185 0.376 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.726 0.041 1.078 0.00 0.00 +0.055 A ATOM 7 N LIG 1 0.800 -0.931 0.810 0.00 0.00 -0.238 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 2.671 -0.308 2.230 0.00 0.00 +0.032 C ATOM 9 C LIG 1 3.458 -1.589 1.932 0.00 0.00 +0.014 C ATOM 10 C LIG 1 1.905 -0.440 3.549 0.00 0.00 +0.014 C ENDBRANCH 6 8 BRANCH 1 11 ATOM 11 C LIG 1 -1.043 -1.901 -0.428 0.00 0.00 +0.074 C BRANCH 11 12 ATOM 12 C LIG 1 -0.790 -3.203 0.339 0.00 0.00 +0.007 C BRANCH 12 14 ATOM 13 C LIG 1 0.618 -5.283 0.544 0.00 0.00 +0.004 C ATOM 14 C LIG 1 0.380 -4.002 -0.240 0.00 0.00 -0.003 C ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 C LIG 1 -0.944 0.489 -2.123 0.00 0.00 +0.161 C BRANCH 15 16 ATOM 16 C LIG 1 -2.364 0.828 -1.720 0.00 0.00 -0.028 A ATOM 17 C LIG 1 -2.636 1.891 -0.849 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -3.950 2.183 -0.471 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -5.024 1.428 -0.961 0.00 0.00 -0.017 A ATOM 20 C LIG 1 -4.752 0.389 -1.862 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -3.439 0.093 -2.240 0.00 0.00 +0.006 A BRANCH 19 22 ATOM 22 C LIG 1 -6.403 1.727 -0.547 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -7.157 0.890 0.302 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -8.485 1.214 0.629 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -9.074 2.369 0.116 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -8.343 3.205 -0.722 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -7.023 2.888 -1.048 0.00 0.00 +0.009 A BRANCH 23 28 ATOM 28 C LIG 1 -6.583 -0.329 0.893 0.00 0.00 +0.183 A ATOM 29 N LIG 1 -7.295 -1.464 0.905 0.00 0.00 -0.271 N ATOM 30 H LIG 1 -8.197 -1.656 0.508 0.00 0.00 +0.174 HD ATOM 31 C LIG 1 -6.513 -2.400 1.463 0.00 0.00 +0.440 A ATOM 32 O LIG 1 -6.804 -3.577 1.604 0.00 0.00 -0.221 OA ATOM 33 O LIG 1 -5.328 -1.817 1.833 0.00 0.00 -0.295 OA ATOM 34 N LIG 1 -5.416 -0.446 1.430 0.00 0.00 -0.054 NA ENDBRANCH 23 28 ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 2 15 BRANCH 5 35 ATOM 35 C LIG 1 2.766 2.322 0.602 0.00 0.00 +0.141 C BRANCH 35 36 ATOM 36 C LIG 1 4.057 2.177 -0.116 0.00 0.00 +0.232 A ATOM 37 O LIG 1 4.175 2.799 -1.323 0.00 0.00 -0.338 OA ATOM 38 N LIG 1 5.455 2.503 -1.795 0.00 0.00 -0.061 NA ATOM 39 C LIG 1 5.973 1.729 -0.831 0.00 0.00 +0.177 A ATOM 40 N LIG 1 5.135 1.513 0.237 0.00 0.00 -0.195 NA BRANCH 39 41 ATOM 41 C LIG 1 7.362 1.143 -0.880 0.00 0.00 +0.025 C ATOM 42 C LIG 1 8.042 1.371 -2.245 0.00 0.00 +0.019 C ATOM 43 C LIG 1 7.295 -0.376 -0.626 0.00 0.00 +0.019 C ATOM 44 C LIG 1 8.233 1.793 0.212 0.00 0.00 +0.019 C ENDBRANCH 39 41 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 11