REMARK Name = BDB058304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.028 0.846 2.371 0.00 0.00 +0.161 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.330 1.918 0.564 0.00 0.00 +0.113 A ATOM 3 N LIG 1 1.141 0.919 1.495 0.00 0.00 -0.292 N ATOM 4 C LIG 1 2.102 -0.060 1.662 0.00 0.00 +0.258 A ATOM 5 O LIG 1 2.038 -0.950 2.512 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 3.279 -0.008 0.756 0.00 0.00 +0.049 A ATOM 7 C LIG 1 3.335 1.009 -0.119 0.00 0.00 +0.049 A ATOM 8 C LIG 1 4.442 1.210 -1.125 0.00 0.00 +0.066 C ATOM 9 N LIG 1 2.370 1.976 -0.204 0.00 0.00 -0.238 NA BRANCH 2 10 ATOM 10 C LIG 1 0.255 2.995 0.401 0.00 0.00 +0.074 C BRANCH 10 11 ATOM 11 C LIG 1 0.641 4.171 -0.504 0.00 0.00 +0.007 C BRANCH 11 13 ATOM 12 C LIG 1 2.033 6.262 -0.757 0.00 0.00 +0.004 C ATOM 13 C LIG 1 1.615 5.136 0.177 0.00 0.00 -0.003 C ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 2 10 BRANCH 6 14 ATOM 14 C LIG 1 4.268 -1.123 0.940 0.00 0.00 +0.163 C BRANCH 14 15 ATOM 15 C LIG 1 3.705 -2.431 0.409 0.00 0.00 +0.312 C ATOM 16 O LIG 1 2.714 -2.555 -0.298 0.00 0.00 -0.250 OA BRANCH 15 17 ATOM 17 O LIG 1 4.519 -3.455 0.800 0.00 0.00 -0.462 OA BRANCH 17 18 ATOM 18 C LIG 1 4.130 -4.774 0.374 0.00 0.00 +0.170 C ATOM 19 C LIG 1 3.136 -5.354 1.373 0.00 0.00 +0.052 C ATOM 20 C LIG 1 5.398 -5.619 0.329 0.00 0.00 +0.052 C ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 -1.270 0.318 1.683 0.00 0.00 -0.028 A ATOM 22 C LIG 1 -1.253 -0.886 0.962 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -2.411 -1.359 0.334 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -3.616 -0.650 0.418 0.00 0.00 -0.017 A ATOM 25 C LIG 1 -3.635 0.534 1.173 0.00 0.00 +0.009 A ATOM 26 C LIG 1 -2.480 1.013 1.796 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 -4.831 -1.119 -0.268 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -5.473 -0.368 -1.271 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -6.652 -0.810 -1.883 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -7.211 -2.028 -1.500 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.587 -2.799 -0.521 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.412 -2.348 0.092 0.00 0.00 +0.009 A BRANCH 28 33 ATOM 33 C LIG 1 -4.884 0.869 -1.776 0.00 0.00 +0.183 A ATOM 34 N LIG 1 -3.891 0.805 -2.674 0.00 0.00 -0.271 N ATOM 35 H LIG 1 -3.470 -0.004 -3.101 0.00 0.00 +0.174 HD ATOM 36 C LIG 1 -3.577 2.075 -2.973 0.00 0.00 +0.440 A ATOM 37 O LIG 1 -2.760 2.428 -3.811 0.00 0.00 -0.221 OA ATOM 38 O LIG 1 -4.364 2.915 -2.214 0.00 0.00 -0.295 OA ATOM 39 N LIG 1 -5.226 2.071 -1.441 0.00 0.00 -0.054 NA ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 11