REMARK Name = BDB027135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.245 -1.044 0.329 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.136 -2.526 -0.015 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.574 -3.041 -1.245 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.485 -4.407 -1.520 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.976 -5.282 -0.564 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.563 -4.794 0.673 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.651 -3.428 0.950 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.851 -0.115 -0.856 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.621 0.097 -1.798 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.371 0.166 0.678 0.00 0.00 +0.039 A ATOM 11 C LIG 1 3.912 1.300 -0.004 0.00 0.00 +0.039 A ATOM 12 C LIG 1 2.585 1.291 -0.455 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.704 0.226 -0.225 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.443 0.584 -0.814 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.629 1.819 -1.415 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.204 -0.899 0.469 0.00 0.00 +0.011 A ATOM 17 N LIG 1 1.902 2.244 -1.171 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.293 3.122 -1.485 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.528 -0.914 0.927 0.00 0.00 +0.014 A BRANCH 10 22 ATOM 20 C LIG 1 8.154 0.450 0.880 0.00 0.00 +0.132 C ATOM 21 N LIG 1 6.816 0.349 0.324 0.00 0.00 -0.304 N ATOM 22 C LIG 1 5.756 0.122 1.200 0.00 0.00 +0.246 C ATOM 23 O LIG 1 5.900 -0.099 2.401 0.00 0.00 -0.270 OA ATOM 24 C LIG 1 6.733 0.214 -1.125 0.00 0.00 +0.132 C ENDBRANCH 10 22 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.633 -0.753 0.773 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.962 -1.520 1.359 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.727 0.509 1.515 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.188 0.880 1.833 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.908 1.659 0.752 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.676 2.781 1.100 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.364 3.507 0.124 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.305 3.114 -1.216 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.558 1.989 -1.571 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.871 1.265 -0.593 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.009 3.859 -2.217 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.581 4.470 -3.022 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9