REMARK Name = BDB034194 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.979 -1.018 -0.160 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.169 0.149 -0.882 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.178 0.521 -1.450 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.915 0.905 -0.804 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.032 0.193 0.007 0.00 0.00 -0.015 A ATOM 6 C LIG 1 0.769 0.693 0.267 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.411 1.907 -0.326 0.00 0.00 +0.121 A ATOM 8 C LIG 1 1.317 2.631 -1.123 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.593 2.123 -1.375 0.00 0.00 +0.017 A ATOM 10 C LIG 1 2.670 -1.070 0.481 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 7.244 -4.621 2.428 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 6.633 -3.815 1.732 0.00 0.00 +0.219 C ATOM 13 N LIG 1 5.562 -4.209 0.970 0.00 0.00 -0.255 N ATOM 14 H LIG 1 5.289 -5.177 1.072 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 4.663 -3.404 0.308 0.00 0.00 +0.240 C ATOM 16 O LIG 1 3.627 -3.886 -0.144 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.075 -1.931 0.151 0.00 0.00 +0.163 C ATOM 18 C LIG 1 5.824 -1.473 1.404 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.034 -2.364 1.633 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -0.834 2.405 -0.045 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.696 2.429 -1.204 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -2.927 1.494 -0.968 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -3.965 1.692 -2.096 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -4.384 3.156 -2.230 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -3.180 4.054 -2.478 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -2.139 3.889 -1.381 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -2.461 0.119 -0.694 0.00 0.00 -0.289 NA ATOM 28 C LIG 1 -3.527 -0.833 -0.296 0.00 0.00 +0.088 C ATOM 29 C LIG 1 -2.725 -1.907 -1.089 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -2.157 -0.709 -1.875 0.00 0.00 +0.087 C BRANCH 28 31 ATOM 31 C LIG 1 -3.648 -1.024 1.277 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -2.981 -0.226 2.230 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.120 -0.429 3.607 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.939 -1.446 4.081 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.617 -2.256 3.179 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.471 -2.045 1.804 0.00 0.00 +0.005 A ENDBRANCH 28 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5