REMARK Name = BDB022769 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.790 0.694 -0.854 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -0.845 1.010 0.538 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.408 1.535 0.805 0.00 0.00 +0.122 A ATOM 4 N LIG 1 1.101 1.522 -0.366 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.386 1.044 -1.402 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -1.889 0.833 1.538 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -3.155 0.619 1.050 0.00 0.00 -0.307 N ATOM 8 H LIG 1 -3.333 0.834 0.072 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -1.655 0.904 2.742 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -4.279 0.519 1.947 0.00 0.00 +0.144 C BRANCH 10 11 ATOM 11 C LIG 1 -5.530 0.080 1.232 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -6.647 0.929 1.223 0.00 0.00 +0.171 A ATOM 13 F LIG 1 -6.566 2.117 1.847 0.00 0.00 -0.201 F ATOM 14 C LIG 1 -7.848 0.581 0.587 0.00 0.00 +0.156 A ATOM 15 C LIG 1 -7.932 -0.647 -0.065 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -6.831 -1.511 -0.068 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -5.636 -1.160 0.578 0.00 0.00 +0.059 A BRANCH 14 18 ATOM 18 O LIG 1 -8.849 1.509 0.666 0.00 0.00 -0.492 OA ATOM 19 C LIG 1 -10.100 1.177 0.080 0.00 0.00 +0.277 C ENDBRANCH 14 18 BRANCH 17 20 ATOM 20 C LIG 1 -4.544 -2.094 0.537 0.00 0.00 +0.100 C ATOM 21 N LIG 1 -3.679 -2.865 0.477 0.00 0.00 -0.191 NA ENDBRANCH 17 20 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 22 ATOM 22 C LIG 1 -1.833 0.037 -1.706 0.00 0.00 +0.217 C BRANCH 22 24 ATOM 23 C LIG 1 -3.034 1.880 -2.594 0.00 0.00 +0.194 C ATOM 24 O LIG 1 -3.081 0.758 -1.715 0.00 0.00 -0.377 OA ENDBRANCH 22 24 ENDBRANCH 1 22 BRANCH 4 25 ATOM 25 C LIG 1 2.475 1.965 -0.575 0.00 0.00 +0.180 C BRANCH 25 26 ATOM 26 C LIG 1 3.486 0.976 -0.066 0.00 0.00 -0.008 A ATOM 27 C LIG 1 3.396 -0.383 -0.355 0.00 0.00 +0.116 A ATOM 28 N LIG 1 4.296 -1.308 0.048 0.00 0.00 -0.258 NA ATOM 29 C LIG 1 5.360 -0.876 0.773 0.00 0.00 +0.061 A ATOM 30 C LIG 1 5.547 0.468 1.089 0.00 0.00 +0.025 A ATOM 31 C LIG 1 4.601 1.398 0.664 0.00 0.00 +0.009 A BRANCH 29 32 ATOM 32 C LIG 1 6.375 -1.913 1.203 0.00 0.00 +0.180 C BRANCH 32 33 ATOM 33 N LIG 1 7.530 -1.976 0.308 0.00 0.00 -0.309 N ATOM 34 C LIG 1 8.682 -1.277 0.654 0.00 0.00 +0.252 A ATOM 35 O LIG 1 8.816 -0.602 1.672 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 9.815 -1.374 -0.307 0.00 0.00 +0.070 A ATOM 37 C LIG 1 9.680 -2.067 -1.446 0.00 0.00 +0.007 A ATOM 38 C LIG 1 8.439 -2.732 -1.750 0.00 0.00 +0.018 A ATOM 39 C LIG 1 7.419 -2.672 -0.886 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 11