REMARK Name = BDB059995 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.796 1.705 0.760 0.00 0.00 +0.158 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.588 3.090 0.163 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.013 4.218 0.885 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.841 5.503 0.368 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.251 5.679 -0.881 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.842 4.571 -1.619 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.014 3.284 -1.105 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.740 0.639 0.330 0.00 0.00 +0.202 C ATOM 9 O LIG 1 -1.073 -0.343 -0.338 0.00 0.00 -0.288 OA BRANCH 8 14 ATOM 10 C LIG 1 4.179 -1.271 0.292 0.00 0.00 -0.010 A ATOM 11 C LIG 1 4.065 -0.125 1.007 0.00 0.00 +0.055 A ATOM 12 C LIG 1 2.818 0.550 1.136 0.00 0.00 +0.139 A ATOM 13 N LIG 1 1.708 -0.004 0.504 0.00 0.00 -0.297 N ATOM 14 C LIG 1 0.632 0.829 0.780 0.00 0.00 +0.111 A ATOM 15 C LIG 1 1.176 1.836 1.561 0.00 0.00 +0.142 A ATOM 16 C LIG 1 1.794 -1.179 -0.241 0.00 0.00 +0.094 A ATOM 17 N LIG 1 2.513 1.655 1.777 0.00 0.00 -0.235 NA ATOM 18 C LIG 1 2.975 -1.809 -0.360 0.00 0.00 +0.027 A BRANCH 10 23 ATOM 19 C LIG 1 9.011 -2.360 0.002 0.00 0.00 +0.172 C ATOM 20 N LIG 1 7.570 -2.439 0.031 0.00 0.00 -0.274 N ATOM 21 N LIG 1 6.970 -3.631 -0.132 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 5.669 -3.341 -0.049 0.00 0.00 +0.142 A ATOM 23 C LIG 1 5.431 -1.963 0.160 0.00 0.00 +0.020 A ATOM 24 C LIG 1 6.693 -1.409 0.209 0.00 0.00 +0.116 A ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -3.189 1.198 0.607 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -3.185 0.219 0.905 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.704 1.241 -0.770 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -5.056 0.514 -0.892 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.994 -0.969 -0.595 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.260 -1.833 -1.418 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.197 -3.200 -1.135 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -4.872 -3.718 -0.026 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.610 -2.863 0.797 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.671 -1.496 0.513 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -4.806 -5.120 0.266 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -4.753 -6.255 0.504 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9