REMARK Name = BDB034349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.304 2.493 0.919 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.367 1.666 0.444 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.861 1.905 -0.862 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -2.875 1.102 -1.367 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -3.453 0.061 -0.626 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -2.985 -0.169 0.667 0.00 0.00 +0.009 A ATOM 7 N LIG 1 -1.402 2.887 -1.649 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 -0.448 3.693 -1.153 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -1.962 0.622 1.195 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.110 3.548 0.103 0.00 0.00 +0.043 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -4.526 -0.767 -1.198 0.00 0.00 -0.010 A ATOM 12 C LIG 1 -5.906 -0.469 -1.005 0.00 0.00 -0.010 A ATOM 13 C LIG 1 -6.879 -1.324 -1.583 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -8.246 -1.053 -1.406 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -8.671 0.050 -0.667 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -7.733 0.900 -0.097 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.474 -2.438 -2.334 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -5.125 -2.721 -2.523 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -6.370 0.643 -0.263 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -4.160 -1.892 -1.960 0.00 0.00 +0.009 A ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 N LIG 1 0.213 2.316 2.213 0.00 0.00 -0.343 N ATOM 22 H LIG 1 0.122 1.360 2.542 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 1.452 2.946 2.667 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 2.702 2.355 2.008 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 2.923 0.886 2.380 0.00 0.00 +0.083 C BRANCH 25 26 ATOM 26 N LIG 1 4.204 0.365 1.896 0.00 0.00 -0.312 NA ATOM 27 H LIG 1 4.366 -0.547 2.326 0.00 0.00 +0.122 HD BRANCH 26 28 ATOM 28 C LIG 1 4.208 0.157 0.444 0.00 0.00 +0.120 C BRANCH 28 30 ATOM 29 C LIG 1 5.587 -1.892 -0.224 0.00 0.00 +0.125 A ATOM 30 C LIG 1 5.499 -0.504 0.008 0.00 0.00 +0.011 A ATOM 31 C LIG 1 6.649 0.292 -0.136 0.00 0.00 +0.046 A ATOM 32 C LIG 1 7.851 -0.282 -0.524 0.00 0.00 +0.124 A ATOM 33 F LIG 1 8.939 0.488 -0.663 0.00 0.00 -0.205 F ATOM 34 C LIG 1 7.941 -1.644 -0.769 0.00 0.00 +0.042 A ATOM 35 C LIG 1 6.811 -2.451 -0.617 0.00 0.00 +0.049 A BRANCH 29 37 ATOM 36 C LIG 1 4.474 -4.004 -0.302 0.00 0.00 +0.277 C ATOM 37 O LIG 1 4.435 -2.608 -0.030 0.00 0.00 -0.495 OA ENDBRANCH 29 37 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 9