REMARK Name = BDB027036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.772 1.410 -1.449 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.156 2.297 -0.272 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.051 1.866 1.061 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.421 2.708 2.112 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.912 3.984 1.848 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.042 4.420 0.531 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.672 3.581 -0.521 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -1.947 0.749 -2.096 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -1.565 0.070 -2.759 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.812 0.021 -1.156 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 -3.842 -0.820 -1.925 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 -6.414 -2.983 0.786 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.219 -3.558 0.343 0.00 0.00 +0.019 A ATOM 14 C LIG 1 -4.390 -2.860 -0.538 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.750 -1.583 -0.989 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -5.946 -1.010 -0.537 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -6.775 -1.707 0.345 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 -7.953 -4.277 2.426 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 -7.264 -3.699 1.692 0.00 0.00 +0.099 C ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 0.373 0.392 -1.175 0.00 0.00 +0.186 C ATOM 21 O LIG 1 0.186 -0.821 -1.319 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 1.705 0.895 -0.796 0.00 0.00 +0.044 A ATOM 23 C LIG 1 2.848 0.113 -0.411 0.00 0.00 +0.010 A ATOM 24 C LIG 1 3.893 0.992 -0.134 0.00 0.00 +0.049 A ATOM 25 C LIG 1 5.166 0.565 0.278 0.00 0.00 +0.052 A ATOM 26 C LIG 1 5.392 -0.817 0.417 0.00 0.00 +0.049 A ATOM 27 C LIG 1 4.356 -1.719 0.144 0.00 0.00 +0.027 A ATOM 28 N LIG 1 3.417 2.264 -0.344 0.00 0.00 -0.360 N ATOM 29 H LIG 1 3.958 3.108 -0.216 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 3.092 -1.267 -0.266 0.00 0.00 +0.013 A ATOM 31 C LIG 1 2.109 2.219 -0.749 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 N LIG 1 6.672 -1.293 0.833 0.00 0.00 -0.306 N ATOM 33 C LIG 1 7.062 -2.604 1.017 0.00 0.00 +0.204 A ATOM 34 N LIG 1 8.313 -2.717 1.408 0.00 0.00 -0.244 NA ATOM 35 C LIG 1 8.773 -1.437 1.487 0.00 0.00 +0.130 A ATOM 36 C LIG 1 7.789 -0.542 1.140 0.00 0.00 +0.112 A ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9