REMARK Name = BDB006210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.763 0.908 1.471 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.952 -0.284 1.098 0.00 0.00 +0.146 C ATOM 3 C LIG 1 0.090 0.303 0.223 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -0.100 1.671 0.129 0.00 0.00 +0.154 A ATOM 5 N LIG 1 0.747 2.263 -0.699 0.00 0.00 -0.161 NA ATOM 6 N LIG 1 1.641 1.263 -1.007 0.00 0.00 -0.232 N ATOM 7 C LIG 1 1.158 -0.000 -0.600 0.00 0.00 +0.054 A ATOM 8 C LIG 1 -1.249 2.103 0.894 0.00 0.00 +0.272 C ATOM 9 O LIG 1 -1.647 3.252 1.002 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -1.663 -1.384 0.321 0.00 0.00 -0.019 A ATOM 11 C LIG 1 -2.554 -1.200 -0.766 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -2.925 0.147 -1.329 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -3.139 -2.329 -1.377 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -2.853 -3.619 -0.937 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -3.582 -4.972 -1.709 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -1.980 -3.815 0.121 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -1.393 -2.711 0.740 0.00 0.00 +0.007 A ENDBRANCH 2 10 BRANCH 1 20 ATOM 18 C LIG 1 -4.772 1.844 3.502 0.00 0.00 +0.129 A ATOM 19 C LIG 1 -3.697 1.942 2.612 0.00 0.00 +0.065 A ATOM 20 C LIG 1 -2.861 0.840 2.383 0.00 0.00 +0.042 A ATOM 21 C LIG 1 -3.151 -0.345 3.082 0.00 0.00 +0.043 A ATOM 22 C LIG 1 -4.231 -0.423 3.970 0.00 0.00 +0.046 A ATOM 23 CL LIG 1 -4.538 -1.898 4.803 0.00 0.00 -0.083 Cl ATOM 24 C LIG 1 -5.053 0.672 4.188 0.00 0.00 +0.061 A BRANCH 18 26 ATOM 25 C LIG 1 -6.283 3.877 3.877 0.00 0.00 +0.135 C ATOM 26 N LIG 1 -5.587 2.950 3.702 0.00 0.00 -0.350 NA ENDBRANCH 18 26 ENDBRANCH 1 20 BRANCH 6 27 ATOM 27 C LIG 1 2.829 1.639 -1.684 0.00 0.00 +0.107 A ATOM 28 C LIG 1 4.093 1.181 -1.284 0.00 0.00 +0.145 A ATOM 29 C LIG 1 5.216 1.583 -2.019 0.00 0.00 +0.048 A ATOM 30 C LIG 1 5.090 2.470 -3.093 0.00 0.00 +0.004 A ATOM 31 C LIG 1 3.842 2.978 -3.438 0.00 0.00 +0.002 A ATOM 32 C LIG 1 2.714 2.574 -2.729 0.00 0.00 +0.031 A BRANCH 28 33 ATOM 33 O LIG 1 4.160 0.411 -0.156 0.00 0.00 -0.493 OA ATOM 34 C LIG 1 5.440 0.234 0.440 0.00 0.00 +0.277 C ENDBRANCH 28 33 ENDBRANCH 6 27 BRANCH 7 35 ATOM 35 C LIG 1 1.588 -1.371 -1.074 0.00 0.00 +0.032 C ATOM 36 C LIG 1 2.306 -1.433 -2.418 0.00 0.00 +0.014 C ATOM 37 C LIG 1 2.317 -2.174 0.001 0.00 0.00 +0.014 C ENDBRANCH 7 35 TORSDOF 6