REMARK Name = BDB024201 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.693 0.835 0.221 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.968 1.762 1.398 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.834 1.337 2.420 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -4.116 2.166 3.507 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.547 3.434 3.583 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.705 3.881 2.566 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.423 3.054 1.476 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.229 0.958 -0.291 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.334 0.265 0.497 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.660 -0.171 1.349 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.941 1.611 -1.294 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.044 0.133 0.335 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.625 -0.583 1.319 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 2.969 -0.767 1.249 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.783 -0.275 0.234 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.148 0.456 -0.770 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.766 0.663 -0.722 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.213 -0.522 0.228 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.155 0.252 -0.418 0.00 0.00 +0.117 A ATOM 20 N LIG 1 7.370 -0.330 -0.173 0.00 0.00 -0.268 N ATOM 21 N LIG 1 7.291 -1.400 0.636 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 5.982 -1.527 0.863 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 8.652 0.234 -0.634 0.00 0.00 +0.107 C ATOM 24 C LIG 1 9.778 -0.816 -0.825 0.00 0.00 +0.027 C ATOM 25 C LIG 1 10.186 -0.029 -2.089 0.00 0.00 +0.004 C ATOM 26 C LIG 1 8.720 0.446 -2.169 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 -3.665 1.114 -0.856 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.390 2.003 -1.281 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.731 0.095 -1.910 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 -4.319 -2.225 -2.712 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -4.117 -1.345 -1.472 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 -5.334 -1.459 -0.563 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -6.463 -0.643 -0.719 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.564 -0.775 0.133 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -7.556 -1.735 1.147 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -6.443 -2.564 1.304 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.343 -2.429 0.453 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -8.683 -1.869 2.023 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.592 -1.981 2.735 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10