REMARK Name = BDB024287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.816 -0.918 1.584 0.00 0.00 +0.144 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.790 -1.846 2.829 0.00 0.00 +0.015 C ATOM 3 C LIG 1 -0.956 -3.116 2.586 0.00 0.00 +0.005 C ATOM 4 C LIG 1 -0.819 -3.967 3.852 0.00 0.00 +0.000 C ATOM 5 C LIG 1 -2.005 -3.844 4.806 0.00 0.00 +0.000 C ATOM 6 C LIG 1 -3.295 -3.553 4.056 0.00 0.00 +0.000 C ATOM 7 C LIG 1 -3.219 -2.237 3.278 0.00 0.00 +0.005 C ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.116 -0.917 0.091 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.437 -1.565 -0.455 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.383 -0.423 1.275 0.00 0.00 +0.236 C ATOM 11 O LIG 1 0.193 0.357 2.031 0.00 0.00 -0.274 OA BRANCH 8 15 ATOM 12 C LIG 1 3.699 -0.238 -1.915 0.00 0.00 +0.003 A ATOM 13 C LIG 1 2.676 -1.073 -2.354 0.00 0.00 +0.121 A ATOM 14 N LIG 1 1.510 -1.285 -1.687 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 1.340 -0.641 -0.513 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.298 0.213 0.010 0.00 0.00 +0.044 A ATOM 17 C LIG 1 3.487 0.414 -0.700 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 8.382 0.790 -3.216 0.00 0.00 +0.172 C ATOM 19 N LIG 1 6.994 0.396 -3.241 0.00 0.00 -0.274 N ATOM 20 N LIG 1 6.439 0.000 -4.399 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 5.176 -0.275 -4.065 0.00 0.00 +0.143 A ATOM 22 C LIG 1 4.913 -0.059 -2.690 0.00 0.00 +0.021 A ATOM 23 C LIG 1 6.126 0.371 -2.187 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.686 0.252 1.846 0.00 0.00 -0.305 NA ATOM 25 H LIG 1 -2.213 0.863 2.517 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.069 1.004 0.646 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -2.131 2.171 0.295 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -2.634 2.948 -0.898 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -3.560 3.987 -0.730 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -4.036 4.695 -1.836 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -3.595 4.368 -3.122 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -2.670 3.334 -3.297 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -2.193 2.627 -2.190 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -4.101 5.083 -4.257 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -4.522 5.657 -5.174 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9