REMARK Name = BDB027158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.020 -0.299 -0.681 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.478 -1.563 0.035 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.916 -1.498 1.368 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.351 -2.647 2.033 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.355 -3.874 1.374 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.927 -3.955 0.051 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.493 -2.808 -0.616 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.586 -0.493 -1.263 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.432 -0.878 -2.429 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.791 -0.282 -0.848 0.00 0.00 -0.013 A ATOM 11 C LIG 1 4.126 0.002 0.356 0.00 0.00 +0.034 A ATOM 12 C LIG 1 2.723 -0.021 0.363 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.963 -0.315 -0.768 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.576 -0.248 -0.394 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.554 0.088 0.950 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.647 -0.597 -1.969 0.00 0.00 +0.011 A ATOM 17 N LIG 1 1.844 0.222 1.390 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.119 0.460 2.333 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 4.049 -0.574 -1.997 0.00 0.00 +0.009 A BRANCH 10 23 ATOM 20 N LIG 1 8.361 -0.480 -0.360 0.00 0.00 -0.269 N ATOM 21 N LIG 1 8.405 -0.031 -1.630 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 7.117 0.117 -1.955 0.00 0.00 +0.142 A ATOM 23 C LIG 1 6.242 -0.261 -0.911 0.00 0.00 +0.020 A ATOM 24 C LIG 1 7.088 -0.667 0.101 0.00 0.00 +0.117 A BRANCH 20 25 ATOM 25 C LIG 1 9.597 -0.815 0.319 0.00 0.00 +0.171 C BRANCH 25 26 ATOM 26 C LIG 1 9.761 -0.144 1.682 0.00 0.00 +0.182 C BRANCH 26 28 ATOM 27 C LIG 1 10.805 1.882 0.966 0.00 0.00 +0.194 C ATOM 28 O LIG 1 9.720 1.283 1.661 0.00 0.00 -0.381 OA ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 29 ATOM 29 N LIG 1 -2.925 0.114 -1.787 0.00 0.00 -0.303 NA ATOM 30 H LIG 1 -2.824 -0.574 -2.538 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.337 0.268 -1.435 0.00 0.00 +0.086 C BRANCH 31 32 ATOM 32 C LIG 1 -4.611 1.417 -0.454 0.00 0.00 +0.050 C BRANCH 32 33 ATOM 33 C LIG 1 -6.087 1.564 -0.165 0.00 0.00 -0.046 A ATOM 34 C LIG 1 -6.715 0.712 0.753 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -8.081 0.840 1.015 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -8.838 1.814 0.354 0.00 0.00 +0.037 A ATOM 37 C LIG 1 -8.214 2.673 -0.558 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -6.846 2.544 -0.819 0.00 0.00 +0.004 A BRANCH 36 39 ATOM 39 C LIG 1 -10.289 1.911 0.668 0.00 0.00 +0.242 C ATOM 40 O LIG 1 -10.757 1.454 1.703 0.00 0.00 -0.270 OA ATOM 41 N LIG 1 -11.099 2.498 -0.265 0.00 0.00 -0.325 N ATOM 42 H LIG 1 -12.093 2.429 -0.086 0.00 0.00 +0.145 HD ATOM 43 H LIG 1 -10.811 2.612 -1.226 0.00 0.00 +0.145 HD ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 12