REMARK Name = BDB059806 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.126 0.353 -1.246 0.00 0.00 +0.191 C ATOM 2 C LIG 1 0.570 -0.052 0.081 0.00 0.00 +0.156 A ATOM 3 N LIG 1 1.217 -1.207 -0.212 0.00 0.00 -0.263 N ATOM 4 C LIG 1 1.900 -1.974 0.698 0.00 0.00 +0.062 A ATOM 5 C LIG 1 1.944 -1.382 2.058 0.00 0.00 +0.024 A ATOM 6 C LIG 1 1.266 -0.144 2.266 0.00 0.00 +0.075 A ATOM 7 C LIG 1 1.284 0.444 3.533 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.957 -0.167 4.591 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.621 -1.375 4.391 0.00 0.00 +0.001 A ATOM 10 C LIG 1 2.617 -1.982 3.132 0.00 0.00 +0.012 A ATOM 11 C LIG 1 2.420 -3.146 0.294 0.00 0.00 +0.047 A ATOM 12 C LIG 1 2.178 -3.470 -1.147 0.00 0.00 +0.116 A ATOM 13 N LIG 1 1.518 -2.753 -2.006 0.00 0.00 -0.220 NA ATOM 14 C LIG 1 1.002 -1.592 -1.495 0.00 0.00 +0.234 A ATOM 15 N LIG 1 0.544 0.533 1.243 0.00 0.00 -0.230 NA ATOM 16 N LIG 1 0.252 -0.800 -2.216 0.00 0.00 -0.224 NA ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 1.268 4.240 -2.672 0.00 0.00 +0.120 A ATOM 18 C LIG 1 0.735 4.111 -1.392 0.00 0.00 +0.046 A ATOM 19 C LIG 1 0.280 2.865 -0.939 0.00 0.00 +0.010 A ATOM 20 C LIG 1 0.348 1.718 -1.751 0.00 0.00 -0.006 A ATOM 21 C LIG 1 0.879 1.871 -3.043 0.00 0.00 +0.010 A ATOM 22 C LIG 1 1.335 3.114 -3.493 0.00 0.00 +0.046 A BRANCH 17 24 ATOM 23 C LIG 1 1.645 6.574 -2.452 0.00 0.00 +0.277 C ATOM 24 O LIG 1 1.748 5.391 -3.234 0.00 0.00 -0.495 OA ENDBRANCH 17 24 ENDBRANCH 1 20 BRANCH 1 25 ATOM 25 C LIG 1 -1.641 0.377 -1.101 0.00 0.00 +0.108 A ATOM 26 C LIG 1 -2.461 -0.551 -0.457 0.00 0.00 +0.074 A ATOM 27 N LIG 1 -3.738 -0.082 -0.640 0.00 0.00 -0.326 N ATOM 28 H LIG 1 -4.583 -0.502 -0.289 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 -3.670 1.064 -1.374 0.00 0.00 +0.191 A ATOM 30 N LIG 1 -2.437 1.370 -1.665 0.00 0.00 -0.216 NA BRANCH 26 31 ATOM 31 C LIG 1 -2.170 -1.771 0.274 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -1.918 -2.962 -0.414 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -1.573 -4.118 0.288 0.00 0.00 +0.046 A ATOM 34 C LIG 1 -1.486 -4.080 1.675 0.00 0.00 +0.117 A ATOM 35 C LIG 1 -1.746 -2.906 2.375 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -2.092 -1.751 1.671 0.00 0.00 +0.013 A BRANCH 34 37 ATOM 37 O LIG 1 -1.126 -5.225 2.321 0.00 0.00 -0.507 OA ATOM 38 H LIG 1 -1.187 -5.070 3.278 0.00 0.00 +0.292 HD ENDBRANCH 34 37 ENDBRANCH 26 31 BRANCH 29 39 ATOM 39 N LIG 1 -4.777 1.738 -1.717 0.00 0.00 -0.329 N ATOM 40 H LIG 1 -5.612 1.213 -1.952 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 -4.595 2.463 -2.408 0.00 0.00 +0.145 HD ENDBRANCH 29 39 ENDBRANCH 1 25 TORSDOF 6