REMARK Name = BDB023087 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.613 -0.928 -0.293 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -1.284 -0.780 -1.782 0.00 0.00 +0.166 C ATOM 3 C LIG 1 0.185 -1.215 -1.835 0.00 0.00 +0.148 C ATOM 4 C LIG 1 0.805 -0.503 -0.623 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -0.300 -0.601 0.454 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 6 N LIG 1 -7.118 1.166 0.898 0.00 0.00 -0.064 NA ATOM 7 C LIG 1 -6.336 0.185 0.567 0.00 0.00 +0.203 A ATOM 8 C LIG 1 -4.908 0.443 0.460 0.00 0.00 +0.064 A ATOM 9 C LIG 1 -4.099 1.592 0.620 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -2.793 1.215 0.355 0.00 0.00 +0.089 A ATOM 11 N LIG 1 -2.774 -0.136 0.076 0.00 0.00 -0.328 N ATOM 12 C LIG 1 -4.064 -0.584 0.115 0.00 0.00 +0.124 A ATOM 13 N LIG 1 -4.530 -1.818 -0.146 0.00 0.00 -0.332 N ATOM 14 H LIG 1 -3.949 -2.607 -0.410 0.00 0.00 +0.168 HD ATOM 15 C LIG 1 -5.890 -1.998 -0.026 0.00 0.00 +0.200 A ATOM 16 N LIG 1 -6.774 -1.107 0.300 0.00 0.00 -0.215 NA BRANCH 6 18 ATOM 17 C LIG 1 -9.261 1.859 1.325 0.00 0.00 +0.313 C ATOM 18 O LIG 1 -8.460 0.748 0.952 0.00 0.00 -0.395 OA ENDBRANCH 6 18 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 O LIG 1 -2.122 -1.576 -2.614 0.00 0.00 -0.387 OA ATOM 20 H LIG 1 -3.013 -1.183 -2.586 0.00 0.00 +0.210 HD ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 O LIG 1 0.295 -2.626 -1.621 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 1.191 -2.889 -1.896 0.00 0.00 +0.210 HD ENDBRANCH 3 21 BRANCH 4 23 ATOM 23 C LIG 1 1.201 0.950 -0.952 0.00 0.00 +0.011 C BRANCH 23 24 ATOM 24 C LIG 1 1.952 1.680 0.172 0.00 0.00 +0.035 C BRANCH 24 25 ATOM 25 C LIG 1 3.273 1.047 0.534 0.00 0.00 -0.045 A ATOM 26 C LIG 1 4.352 1.087 -0.365 0.00 0.00 +0.032 A ATOM 27 C LIG 1 5.580 0.505 -0.076 0.00 0.00 +0.073 A ATOM 28 C LIG 1 5.734 -0.137 1.169 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.974 -0.715 1.455 0.00 0.00 +0.013 A ATOM 30 C LIG 1 7.998 -0.641 0.517 0.00 0.00 +0.044 A ATOM 31 C LIG 1 7.752 0.002 -0.684 0.00 0.00 +0.117 A ATOM 32 C LIG 1 4.667 -0.181 2.081 0.00 0.00 +0.010 A ATOM 33 N LIG 1 6.572 0.570 -0.983 0.00 0.00 -0.232 NA ATOM 34 C LIG 1 3.443 0.408 1.764 0.00 0.00 +0.004 A BRANCH 31 35 ATOM 35 N LIG 1 8.756 0.115 -1.642 0.00 0.00 -0.343 N ATOM 36 H LIG 1 9.144 -0.788 -1.886 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 8.345 0.582 -2.447 0.00 0.00 +0.144 HD ENDBRANCH 31 35 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 8