REMARK Name = BDB034195 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.676 0.949 0.437 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.670 1.520 1.200 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.761 2.445 1.984 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.444 0.766 0.920 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.763 -0.265 0.036 0.00 0.00 -0.015 A ATOM 6 C LIG 1 1.785 -1.147 -0.387 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.483 -0.957 0.087 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.177 0.068 1.002 0.00 0.00 +0.046 A ATOM 9 C LIG 1 1.171 0.954 1.424 0.00 0.00 +0.017 A ATOM 10 C LIG 1 4.215 -0.219 -0.306 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 10.165 0.666 0.754 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.960 0.900 0.732 0.00 0.00 +0.219 C ATOM 13 N LIG 1 8.304 1.114 -0.454 0.00 0.00 -0.255 N ATOM 14 H LIG 1 8.868 1.002 -1.285 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.944 1.145 -0.660 0.00 0.00 +0.240 C ATOM 16 O LIG 1 6.496 1.077 -1.802 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.081 1.309 0.602 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.711 0.524 1.754 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.133 1.006 1.989 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -0.463 -1.860 -0.316 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.542 -1.260 -1.080 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -2.872 -1.555 -0.321 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -3.232 -3.056 -0.415 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -3.189 -3.621 -1.831 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -1.845 -3.358 -2.499 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -1.465 -1.879 -2.483 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -4.087 -0.736 -0.527 0.00 0.00 -0.289 NA ATOM 28 C LIG 1 -3.863 0.702 -0.230 0.00 0.00 +0.088 C ATOM 29 C LIG 1 -3.940 0.989 -1.750 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -4.492 -0.430 -1.898 0.00 0.00 +0.087 C BRANCH 28 31 ATOM 31 C LIG 1 -5.009 1.284 0.716 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -5.709 0.497 1.655 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.697 1.030 2.490 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.014 2.381 2.416 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.342 3.195 1.512 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.356 2.652 0.682 0.00 0.00 +0.005 A ENDBRANCH 28 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5