REMARK Name = BDB024116 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.643 0.154 0.189 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.858 -1.351 0.093 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.575 -2.160 1.210 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.767 -3.541 1.161 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.255 -4.135 0.000 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.556 -3.349 -1.109 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.363 -1.966 -1.063 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.943 1.193 -1.517 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.973 1.850 -2.287 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.331 0.860 -1.160 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.220 1.198 -1.954 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.867 0.376 -0.393 0.00 0.00 +0.020 A ATOM 13 C LIG 1 4.460 1.431 -1.196 0.00 0.00 +0.123 A ATOM 14 N LIG 1 3.172 1.676 -1.553 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 2.216 0.851 -1.078 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.526 -0.250 -0.299 0.00 0.00 +0.044 A ATOM 17 C LIG 1 3.861 -0.481 0.051 0.00 0.00 +0.015 A BRANCH 12 21 ATOM 18 C LIG 1 9.799 0.663 0.077 0.00 0.00 +0.150 C ATOM 19 N LIG 1 8.418 0.265 0.178 0.00 0.00 -0.339 N ATOM 20 C LIG 1 7.351 0.877 -0.418 0.00 0.00 +0.115 A ATOM 21 C LIG 1 6.250 0.140 -0.028 0.00 0.00 +0.090 A ATOM 22 N LIG 1 6.643 -0.899 0.789 0.00 0.00 -0.236 NA ATOM 23 C LIG 1 7.948 -0.796 0.893 0.00 0.00 +0.199 A ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.726 0.850 0.942 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -1.712 0.503 1.900 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.079 0.653 0.406 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.077 1.521 1.188 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -5.491 1.341 0.688 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -6.362 0.444 1.321 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -7.663 0.267 0.845 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -8.106 0.983 -0.272 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.240 1.875 -0.911 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.939 2.051 -0.434 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -9.441 0.800 -0.760 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -10.524 0.651 -1.153 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9