REMARK Name = BDB050638 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.669 1.056 1.985 0.00 0.00 +0.267 C ATOM 2 N LIG 1 0.564 1.691 1.734 0.00 0.00 -0.292 N ATOM 3 O LIG 1 -1.450 1.537 2.811 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 1.538 1.411 0.657 0.00 0.00 +0.091 C ATOM 5 C LIG 1 2.539 0.294 0.987 0.00 0.00 +0.037 C ATOM 6 C LIG 1 3.361 -0.024 -0.270 0.00 0.00 +0.091 C ATOM 7 C LIG 1 2.441 -0.522 -1.399 0.00 0.00 +0.093 C ATOM 8 N LIG 1 1.070 0.013 -1.404 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 0.518 -0.607 -0.794 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 0.973 1.339 -0.787 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 4.446 -1.064 0.016 0.00 0.00 +0.220 C ATOM 12 N LIG 1 5.427 -1.268 -0.953 0.00 0.00 -0.297 N ATOM 13 C LIG 1 5.848 -0.239 -1.912 0.00 0.00 +0.136 C ATOM 14 C LIG 1 6.580 -0.846 -3.113 0.00 0.00 +0.179 C ATOM 15 O LIG 1 7.671 -1.673 -2.691 0.00 0.00 -0.377 OA ATOM 16 C LIG 1 7.188 -2.756 -1.882 0.00 0.00 +0.179 C ATOM 17 C LIG 1 6.483 -2.235 -0.628 0.00 0.00 +0.136 C ATOM 18 O LIG 1 4.425 -1.728 1.054 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 23 ATOM 19 C LIG 1 -2.377 -0.585 1.028 0.00 0.00 +0.056 A ATOM 20 N LIG 1 -2.286 -1.908 0.605 0.00 0.00 -0.302 N ATOM 21 C LIG 1 -0.942 -2.159 0.457 0.00 0.00 +0.205 A ATOM 22 N LIG 1 -0.192 -1.156 0.849 0.00 0.00 -0.230 NA ATOM 23 C LIG 1 -1.062 -0.185 1.289 0.00 0.00 +0.147 A BRANCH 20 24 ATOM 24 C LIG 1 -3.310 -2.870 0.385 0.00 0.00 +0.048 A ATOM 25 C LIG 1 -4.470 -2.875 1.169 0.00 0.00 +0.026 A ATOM 26 C LIG 1 -5.461 -3.835 0.953 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -5.295 -4.802 -0.036 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.133 -4.819 -0.805 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -3.137 -3.863 -0.592 0.00 0.00 +0.026 A ENDBRANCH 20 24 BRANCH 19 30 ATOM 30 C LIG 1 -3.643 0.221 1.107 0.00 0.00 +0.056 C BRANCH 30 31 ATOM 31 C LIG 1 -3.623 1.472 0.217 0.00 0.00 +0.008 C BRANCH 31 32 ATOM 32 C LIG 1 -3.446 1.211 -1.286 0.00 0.00 +0.028 C BRANCH 32 33 ATOM 33 C LIG 1 -4.472 0.262 -1.898 0.00 0.00 +0.159 C BRANCH 33 35 ATOM 34 C LIG 1 -6.776 -0.171 -2.102 0.00 0.00 +0.193 C ATOM 35 O LIG 1 -5.788 0.716 -1.594 0.00 0.00 -0.383 OA ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 19 30 ENDBRANCH 1 23 BRANCH 2 36 ATOM 36 C LIG 1 0.925 2.787 2.645 0.00 0.00 +0.111 C BRANCH 36 37 ATOM 37 C LIG 1 0.711 4.196 2.052 0.00 0.00 +0.000 C ATOM 38 C LIG 1 1.261 5.249 3.016 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -0.758 4.488 1.749 0.00 0.00 +0.009 C ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 11