REMARK Name = BDB054284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.858 1.734 -0.359 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -1.460 0.918 0.701 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.103 0.738 0.990 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.880 1.379 0.228 0.00 0.00 -0.046 A ATOM 5 C LIG 1 0.482 2.200 -0.832 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.875 2.379 -1.118 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -5.478 1.940 -0.706 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -5.344 2.837 -1.144 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -4.332 1.326 -0.218 0.00 0.00 +0.308 C ATOM 10 N LIG 1 -3.204 1.974 -0.706 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -3.351 2.578 -1.500 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -4.312 0.355 0.526 0.00 0.00 -0.252 OA BRANCH 7 15 ATOM 13 C LIG 1 -8.572 0.027 0.242 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -7.211 0.364 0.114 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -6.819 1.543 -0.523 0.00 0.00 +0.035 A ATOM 16 C LIG 1 -7.808 2.392 -1.037 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -9.162 2.071 -0.914 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -9.543 0.892 -0.278 0.00 0.00 +0.005 A BRANCH 13 19 ATOM 19 C LIG 1 -8.976 -1.260 0.932 0.00 0.00 +0.119 C BRANCH 19 21 ATOM 20 C LIG 1 -9.490 -0.332 3.120 0.00 0.00 +0.104 C ATOM 21 N LIG 1 -8.662 -1.278 2.370 0.00 0.00 -0.304 NA ATOM 22 C LIG 1 -8.835 -2.628 2.906 0.00 0.00 +0.104 C ENDBRANCH 19 21 ENDBRANCH 13 19 ENDBRANCH 7 15 ENDBRANCH 1 10 BRANCH 4 23 ATOM 23 C LIG 1 2.344 1.164 0.522 0.00 0.00 +0.054 C BRANCH 23 24 ATOM 24 C LIG 1 2.919 0.003 -0.297 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 N LIG 1 4.326 -0.222 0.019 0.00 0.00 -0.328 N ATOM 26 H LIG 1 4.583 -1.194 0.161 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 5.274 0.493 -0.708 0.00 0.00 +0.134 A ATOM 28 C LIG 1 6.607 0.070 -0.823 0.00 0.00 +0.098 A ATOM 29 C LIG 1 7.456 0.885 -1.554 0.00 0.00 +0.234 A ATOM 30 O LIG 1 8.710 0.360 -1.577 0.00 0.00 -0.435 OA ATOM 31 C LIG 1 8.687 -0.808 -0.865 0.00 0.00 +0.157 A ATOM 32 N LIG 1 7.150 2.034 -2.168 0.00 0.00 -0.200 NA ATOM 33 C LIG 1 5.862 2.345 -1.999 0.00 0.00 +0.227 A ATOM 34 C LIG 1 7.408 -1.019 -0.380 0.00 0.00 +0.099 A ATOM 35 CL LIG 1 6.846 -2.305 0.586 0.00 0.00 -0.079 Cl ATOM 36 N LIG 1 4.929 1.651 -1.321 0.00 0.00 -0.220 NA BRANCH 31 37 ATOM 37 C LIG 1 9.964 -1.514 -0.800 0.00 0.00 +0.019 A ATOM 38 C LIG 1 10.023 -2.912 -0.711 0.00 0.00 +0.011 A ATOM 39 C LIG 1 11.253 -3.575 -0.646 0.00 0.00 +0.001 A ATOM 40 C LIG 1 12.441 -2.849 -0.672 0.00 0.00 +0.000 A ATOM 41 C LIG 1 12.402 -1.461 -0.767 0.00 0.00 +0.001 A ATOM 42 C LIG 1 11.172 -0.800 -0.833 0.00 0.00 +0.011 A ENDBRANCH 31 37 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 9