REMARK Name = BDB053387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.221 1.164 -1.192 0.00 0.00 -0.294 N ATOM 2 C LIG 1 -1.600 1.192 -1.410 0.00 0.00 +0.221 C ATOM 3 O LIG 1 -2.067 1.470 -2.519 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.537 0.904 -0.228 0.00 0.00 +0.096 C ATOM 5 C LIG 1 -4.000 0.688 -0.702 0.00 0.00 +0.033 C ATOM 6 C LIG 1 -4.722 2.020 -1.024 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -4.066 3.251 -0.403 0.00 0.00 +0.081 C ATOM 8 N LIG 1 -3.548 2.939 0.921 0.00 0.00 -0.315 NA ATOM 9 H LIG 1 -3.258 3.796 1.394 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -2.415 2.014 0.839 0.00 0.00 +0.094 C BRANCH 5 11 ATOM 11 C LIG 1 -4.748 -0.215 0.287 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -5.480 0.218 1.329 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -6.173 -0.731 2.243 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -6.830 -0.289 3.183 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -6.014 -2.083 1.949 0.00 0.00 -0.318 N ATOM 16 C LIG 1 -6.666 -3.075 2.787 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -5.272 -2.515 0.866 0.00 0.00 +0.089 A ATOM 18 C LIG 1 -4.657 -1.648 0.054 0.00 0.00 +0.022 A ENDBRANCH 5 11 ENDBRANCH 2 4 BRANCH 1 19 ATOM 19 C LIG 1 0.648 1.640 -2.255 0.00 0.00 +0.077 C ATOM 20 C LIG 1 1.743 2.647 -2.005 0.00 0.00 +0.024 C ATOM 21 C LIG 1 0.534 3.047 -2.789 0.00 0.00 +0.024 C ENDBRANCH 1 19 BRANCH 1 22 ATOM 22 C LIG 1 0.442 0.611 0.001 0.00 0.00 +0.143 C BRANCH 22 25 ATOM 23 C LIG 1 3.949 -0.863 -0.229 0.00 0.00 -0.047 A ATOM 24 C LIG 1 2.867 -0.021 0.037 0.00 0.00 +0.009 A ATOM 25 C LIG 1 1.550 -0.385 -0.301 0.00 0.00 -0.027 A ATOM 26 C LIG 1 1.310 -1.648 -0.899 0.00 0.00 -0.043 A ATOM 27 C LIG 1 -0.092 -2.064 -1.273 0.00 0.00 +0.044 C ATOM 28 C LIG 1 2.408 -2.492 -1.192 0.00 0.00 -0.047 A ATOM 29 C LIG 1 2.230 -3.829 -1.865 0.00 0.00 +0.044 C ATOM 30 C LIG 1 3.708 -2.095 -0.840 0.00 0.00 +0.007 A BRANCH 23 31 ATOM 31 C LIG 1 5.349 -0.455 0.157 0.00 0.00 +0.037 C BRANCH 31 32 ATOM 32 C LIG 1 5.673 -0.854 1.599 0.00 0.00 +0.033 C BRANCH 32 33 ATOM 33 C LIG 1 7.099 -0.479 1.987 0.00 0.00 +0.160 C BRANCH 33 35 ATOM 34 C LIG 1 8.557 1.346 2.294 0.00 0.00 +0.193 C ATOM 35 O LIG 1 7.243 0.939 1.935 0.00 0.00 -0.383 OA ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 23 31 ENDBRANCH 22 25 ENDBRANCH 1 22 TORSDOF 9