REMARK Name = BDB052611 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.066 2.861 0.365 0.00 0.00 +0.134 A ATOM 2 C LIG 1 0.603 1.743 1.024 0.00 0.00 +0.088 A ATOM 3 C LIG 1 0.517 1.740 2.406 0.00 0.00 +0.233 A ATOM 4 O LIG 1 1.024 0.583 2.904 0.00 0.00 -0.436 OA ATOM 5 C LIG 1 1.461 -0.177 1.854 0.00 0.00 +0.146 A ATOM 6 N LIG 1 0.000 2.694 3.190 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -0.453 3.721 2.469 0.00 0.00 +0.227 A ATOM 8 C LIG 1 1.227 0.505 0.667 0.00 0.00 +0.041 A ATOM 9 N LIG 1 -0.468 3.845 1.128 0.00 0.00 -0.220 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.050 -1.461 2.236 0.00 0.00 +0.018 A ATOM 11 C LIG 1 1.594 -2.137 3.379 0.00 0.00 +0.011 A ATOM 12 C LIG 1 2.140 -3.367 3.754 0.00 0.00 +0.001 A ATOM 13 C LIG 1 3.154 -3.940 2.991 0.00 0.00 +0.000 A ATOM 14 C LIG 1 3.624 -3.280 1.858 0.00 0.00 +0.001 A ATOM 15 C LIG 1 3.078 -2.049 1.485 0.00 0.00 +0.011 A ENDBRANCH 5 10 BRANCH 8 16 ATOM 16 C LIG 1 1.541 -0.002 -0.654 0.00 0.00 -0.014 A ATOM 17 C LIG 1 2.504 0.646 -1.437 0.00 0.00 +0.008 A ATOM 18 C LIG 1 2.791 0.181 -2.721 0.00 0.00 +0.001 A ATOM 19 C LIG 1 2.116 -0.928 -3.229 0.00 0.00 +0.000 A ATOM 20 C LIG 1 1.155 -1.575 -2.454 0.00 0.00 +0.001 A ATOM 21 C LIG 1 0.869 -1.115 -1.168 0.00 0.00 +0.008 A ENDBRANCH 8 16 BRANCH 1 22 ATOM 22 N LIG 1 0.026 2.962 -1.016 0.00 0.00 -0.328 N ATOM 23 H LIG 1 0.160 2.080 -1.504 0.00 0.00 +0.147 HD BRANCH 22 24 ATOM 24 C LIG 1 -0.897 3.888 -1.663 0.00 0.00 +0.112 C BRANCH 24 25 ATOM 25 C LIG 1 -2.370 3.575 -1.427 0.00 0.00 +0.115 C BRANCH 25 27 ATOM 26 O LIG 1 -2.902 1.863 -3.000 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 -2.698 2.152 -1.826 0.00 0.00 +0.219 C ATOM 28 N LIG 1 -2.681 1.286 -0.746 0.00 0.00 -0.285 N ATOM 29 H LIG 1 -2.500 1.703 0.160 0.00 0.00 +0.155 HD BRANCH 28 30 ATOM 30 C LIG 1 -2.826 -0.114 -0.754 0.00 0.00 +0.033 A ATOM 31 C LIG 1 -2.727 -0.771 0.481 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -2.839 -2.161 0.559 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -3.054 -2.908 -0.597 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.153 -2.263 -1.828 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -3.040 -0.871 -1.907 0.00 0.00 +0.023 A ENDBRANCH 28 30 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 7