REMARK Name = BDB024240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.996 -1.861 -1.159 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.850 -3.296 -1.654 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.053 -4.239 -0.982 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.925 -5.542 -1.470 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -1.586 -5.912 -2.639 0.00 0.00 +0.041 A ATOM 6 CL LIG 1 -1.431 -7.519 -3.235 0.00 0.00 -0.084 Cl ATOM 7 C LIG 1 -2.368 -4.989 -3.328 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -2.496 -3.686 -2.839 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 0.191 -0.911 -0.669 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.050 -1.351 0.211 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 -0.793 -1.001 -1.638 0.00 0.00 +0.240 C ATOM 12 O LIG 1 -0.779 -0.513 -2.764 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 3.837 1.097 -0.886 0.00 0.00 +0.003 A ATOM 14 C LIG 1 2.934 1.046 -1.943 0.00 0.00 +0.121 A ATOM 15 N LIG 1 1.740 0.405 -1.906 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 1.403 -0.232 -0.774 0.00 0.00 +0.125 A ATOM 17 C LIG 1 2.238 -0.241 0.338 0.00 0.00 +0.044 A ATOM 18 C LIG 1 3.463 0.428 0.279 0.00 0.00 +0.013 A BRANCH 13 23 ATOM 19 C LIG 1 7.421 4.247 -2.267 0.00 0.00 +0.172 C ATOM 20 N LIG 1 6.676 3.205 -1.603 0.00 0.00 -0.274 N ATOM 21 N LIG 1 7.253 2.505 -0.611 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.298 1.652 -0.234 0.00 0.00 +0.143 A ATOM 23 C LIG 1 5.103 1.798 -0.978 0.00 0.00 +0.021 A ATOM 24 C LIG 1 5.389 2.825 -1.857 0.00 0.00 +0.116 A ENDBRANCH 13 23 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 N LIG 1 -2.132 -1.815 0.334 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.785 -2.560 0.589 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.736 -0.537 0.759 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -2.810 -0.471 2.290 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -3.420 0.826 2.763 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.771 0.886 3.130 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.339 2.092 3.549 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -4.563 3.253 3.599 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -3.215 3.202 3.231 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -2.648 1.995 2.815 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.145 4.493 4.024 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -5.613 5.499 4.366 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9