REMARK Name = BDB024100 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.656 -1.821 -0.383 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.605 -2.897 0.700 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.603 -2.547 2.061 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.545 -3.533 3.045 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.497 -4.878 2.684 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.513 -5.239 1.338 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.570 -4.255 0.349 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.771 -1.480 -0.216 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.756 -2.484 -0.111 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.455 -0.820 -0.249 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.607 0.399 -0.216 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.572 0.267 -0.117 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.397 0.998 -0.277 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.153 0.463 -0.315 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 2.027 -0.865 -0.179 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.136 -1.687 -0.016 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.412 -1.116 0.016 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 9.694 2.764 -0.006 0.00 0.00 +0.088 C ATOM 19 C LIG 1 8.359 2.090 -0.050 0.00 0.00 +0.126 A ATOM 20 N LIG 1 7.493 2.478 -1.003 0.00 0.00 -0.240 NA ATOM 21 C LIG 1 6.284 1.873 -1.001 0.00 0.00 +0.122 A ATOM 22 C LIG 1 5.889 0.906 -0.092 0.00 0.00 +0.020 A ATOM 23 C LIG 1 6.863 0.603 0.844 0.00 0.00 +0.122 A ATOM 24 N LIG 1 8.089 1.168 0.891 0.00 0.00 -0.240 NA ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.973 -1.147 -0.330 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -3.688 -1.849 -0.145 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.296 -0.448 -1.583 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -4.655 0.311 -1.569 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -5.807 -0.575 -1.075 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -4.677 1.659 -0.857 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -3.777 2.001 0.161 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.838 3.251 0.786 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.807 4.181 0.407 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.715 3.856 -0.603 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.649 2.607 -1.227 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -4.871 5.461 1.048 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -4.933 6.499 1.565 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9