REMARK Name = BDB052742 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.229 1.677 -0.630 0.00 0.00 +0.167 A ATOM 2 C LIG 1 -2.927 2.832 -1.464 0.00 0.00 +0.178 A ATOM 3 N LIG 1 -1.671 2.986 -1.976 0.00 0.00 -0.302 N ATOM 4 C LIG 1 -1.681 4.139 -2.712 0.00 0.00 +0.112 A ATOM 5 C LIG 1 -2.968 4.625 -2.599 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -0.687 2.060 -1.713 0.00 0.00 +0.121 A ATOM 7 C LIG 1 -0.997 1.005 -0.931 0.00 0.00 +0.090 A ATOM 8 N LIG 1 -3.746 3.802 -1.819 0.00 0.00 -0.233 NA ATOM 9 N LIG 1 -2.270 0.810 -0.402 0.00 0.00 -0.227 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 0.025 -0.030 -0.632 0.00 0.00 +0.004 A ATOM 11 C LIG 1 1.376 0.295 -0.409 0.00 0.00 +0.033 A ATOM 12 C LIG 1 2.321 -0.694 -0.117 0.00 0.00 +0.035 A ATOM 13 C LIG 1 1.908 -2.029 -0.043 0.00 0.00 +0.023 A ATOM 14 C LIG 1 0.571 -2.369 -0.246 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -0.363 -1.375 -0.535 0.00 0.00 +0.010 A BRANCH 12 16 ATOM 16 N LIG 1 3.690 -0.433 0.090 0.00 0.00 -0.269 N ATOM 17 H LIG 1 4.261 -1.222 0.360 0.00 0.00 +0.156 HD ATOM 18 C LIG 1 4.311 0.780 0.209 0.00 0.00 +0.308 C ATOM 19 N LIG 1 5.678 0.749 0.308 0.00 0.00 -0.269 N ATOM 20 H LIG 1 6.039 1.623 0.669 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 3.752 1.870 0.307 0.00 0.00 -0.252 OA BRANCH 19 22 ATOM 22 C LIG 1 6.629 -0.205 -0.097 0.00 0.00 +0.035 A ATOM 23 C LIG 1 7.927 -0.065 0.409 0.00 0.00 +0.023 A ATOM 24 C LIG 1 8.934 -0.964 0.048 0.00 0.00 +0.002 A ATOM 25 C LIG 1 8.656 -1.999 -0.841 0.00 0.00 +0.000 A ATOM 26 C LIG 1 7.377 -2.126 -1.377 0.00 0.00 +0.002 A ATOM 27 C LIG 1 6.369 -1.228 -1.013 0.00 0.00 +0.023 A ENDBRANCH 19 22 ENDBRANCH 12 16 ENDBRANCH 7 10 BRANCH 1 28 ATOM 28 N LIG 1 -4.517 1.555 -0.144 0.00 0.00 -0.296 N ATOM 29 H LIG 1 -5.131 2.309 -0.434 0.00 0.00 +0.154 HD BRANCH 28 33 ATOM 30 C LIG 1 -6.337 -1.152 2.564 0.00 0.00 +0.120 A ATOM 31 C LIG 1 -4.960 -1.197 2.370 0.00 0.00 +0.047 A ATOM 32 C LIG 1 -4.338 -0.304 1.483 0.00 0.00 +0.027 A ATOM 33 C LIG 1 -5.070 0.656 0.779 0.00 0.00 +0.033 A ATOM 34 C LIG 1 -6.459 0.679 0.979 0.00 0.00 +0.027 A ATOM 35 C LIG 1 -7.084 -0.209 1.861 0.00 0.00 +0.047 A BRANCH 30 37 ATOM 36 C LIG 1 -6.338 -2.927 4.142 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -7.063 -1.959 3.394 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 6