REMARK Name = BDB023089 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.124 -0.200 -1.182 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -4.117 0.896 -2.257 0.00 0.00 +0.166 C ATOM 3 C LIG 1 -2.631 1.160 -2.524 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -2.007 -0.234 -2.431 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -2.724 -0.854 -1.224 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 6 N LIG 1 -7.040 1.456 3.826 0.00 0.00 -0.066 NA ATOM 7 C LIG 1 -7.002 0.891 2.660 0.00 0.00 +0.203 A ATOM 8 C LIG 1 -5.773 0.866 1.895 0.00 0.00 +0.064 A ATOM 9 C LIG 1 -4.472 1.376 2.100 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -3.724 1.051 0.982 0.00 0.00 +0.089 A ATOM 11 N LIG 1 -4.519 0.326 0.116 0.00 0.00 -0.328 N ATOM 12 C LIG 1 -5.765 0.248 0.668 0.00 0.00 +0.124 A ATOM 13 N LIG 1 -6.877 -0.315 0.162 0.00 0.00 -0.332 N ATOM 14 H LIG 1 -6.934 -0.729 -0.763 0.00 0.00 +0.168 HD ATOM 15 C LIG 1 -8.015 -0.243 0.935 0.00 0.00 +0.200 A ATOM 16 N LIG 1 -8.137 0.300 2.109 0.00 0.00 -0.215 NA BRANCH 6 17 ATOM 17 O LIG 1 -8.331 1.377 4.409 0.00 0.00 -0.408 OA ATOM 18 H LIG 1 -8.868 0.897 3.743 0.00 0.00 +0.328 HD ENDBRANCH 6 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 O LIG 1 -4.740 0.396 -3.450 0.00 0.00 -0.387 OA ATOM 20 H LIG 1 -4.328 0.913 -4.175 0.00 0.00 +0.210 HD ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 O LIG 1 -2.468 1.730 -3.817 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 -1.524 1.946 -3.926 0.00 0.00 +0.210 HD ENDBRANCH 3 21 BRANCH 4 23 ATOM 23 C LIG 1 -0.481 -0.193 -2.298 0.00 0.00 +0.011 C BRANCH 23 24 ATOM 24 C LIG 1 0.139 -1.592 -2.224 0.00 0.00 +0.035 C BRANCH 24 25 ATOM 25 C LIG 1 1.644 -1.522 -2.155 0.00 0.00 -0.045 A ATOM 26 C LIG 1 2.289 -1.342 -0.919 0.00 0.00 +0.032 A ATOM 27 C LIG 1 3.671 -1.254 -0.811 0.00 0.00 +0.073 A ATOM 28 C LIG 1 4.436 -1.349 -1.989 0.00 0.00 +0.001 A ATOM 29 C LIG 1 5.825 -1.265 -1.871 0.00 0.00 +0.013 A ATOM 30 C LIG 1 6.397 -1.090 -0.615 0.00 0.00 +0.044 A ATOM 31 C LIG 1 5.568 -0.993 0.493 0.00 0.00 +0.119 A ATOM 32 C LIG 1 3.806 -1.525 -3.233 0.00 0.00 +0.010 A ATOM 33 N LIG 1 4.228 -1.081 0.401 0.00 0.00 -0.232 NA ATOM 34 C LIG 1 2.417 -1.608 -3.314 0.00 0.00 +0.004 A BRANCH 31 35 ATOM 35 N LIG 1 6.074 -0.832 1.784 0.00 0.00 -0.329 N ATOM 36 H LIG 1 5.240 -0.812 2.371 0.00 0.00 +0.147 HD BRANCH 35 37 ATOM 37 C LIG 1 6.853 0.384 1.963 0.00 0.00 +0.106 C BRANCH 37 38 ATOM 38 C LIG 1 7.167 0.524 3.422 0.00 0.00 +0.006 C ATOM 39 C LIG 1 7.397 1.883 4.033 0.00 0.00 +0.005 C ATOM 40 C LIG 1 6.154 1.109 4.375 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 31 35 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 10