REMARK Name = BDB024310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.475 -0.672 -1.309 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.616 -2.181 -1.161 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.510 -2.716 -0.219 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.622 -4.097 -0.054 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.846 -4.958 -0.827 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.960 -4.441 -1.770 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.845 -3.061 -1.937 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.458 -0.776 0.242 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.005 -1.608 0.601 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.091 -0.119 -0.836 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.395 0.880 -1.374 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.980 -0.194 2.378 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.060 -1.210 2.607 0.00 0.00 +0.121 A ATOM 14 N LIG 1 1.913 -1.384 1.902 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 1.652 -0.509 0.909 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.504 0.541 0.607 0.00 0.00 +0.044 A ATOM 17 C LIG 1 3.678 0.698 1.350 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 8.614 0.840 3.826 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.244 0.390 3.794 0.00 0.00 -0.274 N ATOM 20 N LIG 1 6.717 -0.210 4.875 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 5.467 -0.494 4.498 0.00 0.00 +0.143 A ATOM 22 C LIG 1 5.185 -0.073 3.176 0.00 0.00 +0.021 A ATOM 23 C LIG 1 6.368 0.497 2.752 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.684 -0.260 -2.715 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.167 0.611 -2.865 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.091 -0.055 -3.052 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -3.504 1.410 -2.933 0.00 0.00 +0.008 C ATOM 28 C LIG 1 -4.431 1.958 -4.013 0.00 0.00 +0.014 C ATOM 29 C LIG 1 -2.994 2.375 -3.997 0.00 0.00 +0.014 C BRANCH 27 30 ATOM 30 C LIG 1 -3.716 1.935 -1.516 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -2.718 2.661 -0.839 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -2.907 3.118 0.469 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -4.105 2.857 1.124 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 -4.340 3.414 2.734 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -5.113 2.145 0.482 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -4.917 1.690 -0.825 0.00 0.00 +0.005 A ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8