REMARK Name = BDB056037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.369 0.344 1.167 0.00 0.00 +0.121 A ATOM 2 N LIG 1 0.927 0.855 2.304 0.00 0.00 -0.263 N ATOM 3 H LIG 1 0.455 1.210 3.125 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 2.266 0.874 2.299 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 2.610 0.349 1.109 0.00 0.00 +0.094 A ATOM 6 C LIG 1 1.440 0.007 0.372 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.015 0.193 0.711 0.00 0.00 +0.002 A ATOM 8 C LIG 1 5.047 0.672 1.530 0.00 0.00 +0.012 A ATOM 9 C LIG 1 6.392 0.531 1.163 0.00 0.00 +0.024 A ATOM 10 C LIG 1 6.735 -0.092 -0.035 0.00 0.00 +0.035 A ATOM 11 C LIG 1 5.713 -0.580 -0.855 0.00 0.00 +0.024 A ATOM 12 C LIG 1 4.367 -0.438 -0.488 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 N LIG 1 8.061 -0.285 -0.470 0.00 0.00 -0.269 N ATOM 14 H LIG 1 8.178 -0.722 -1.371 0.00 0.00 +0.156 HD ATOM 15 C LIG 1 9.214 0.229 0.090 0.00 0.00 +0.304 C ATOM 16 N LIG 1 10.335 -0.272 -0.559 0.00 0.00 -0.296 N ATOM 17 H LIG 1 10.227 -1.198 -0.949 0.00 0.00 +0.151 HD ATOM 18 O LIG 1 9.287 1.026 1.017 0.00 0.00 -0.253 OA BRANCH 16 19 ATOM 19 C LIG 1 11.656 0.093 -0.144 0.00 0.00 +0.075 C ATOM 20 C LIG 1 12.847 -0.272 -0.988 0.00 0.00 +0.024 C ATOM 21 C LIG 1 12.415 1.160 -0.882 0.00 0.00 +0.024 C ENDBRANCH 16 19 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 23 ATOM 22 C LIG 1 -1.573 -0.321 -0.128 0.00 0.00 +0.249 C ATOM 23 N LIG 1 -0.999 0.254 0.996 0.00 0.00 -0.267 N ATOM 24 H LIG 1 -1.603 0.559 1.748 0.00 0.00 +0.157 HD ATOM 25 O LIG 1 -0.982 -0.859 -1.056 0.00 0.00 -0.270 OA BRANCH 22 29 ATOM 26 C LIG 1 -5.909 -0.323 -0.230 0.00 0.00 +0.030 A ATOM 27 C LIG 1 -5.193 0.763 0.302 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -3.791 0.787 0.343 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -3.062 -0.296 -0.149 0.00 0.00 +0.037 A ATOM 30 C LIG 1 -3.743 -1.378 -0.703 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -5.144 -1.387 -0.735 0.00 0.00 +0.024 A BRANCH 26 36 ATOM 32 C LIG 1 -11.305 0.570 -0.564 0.00 0.00 +0.105 C ATOM 33 N LIG 1 -10.293 -0.446 -0.290 0.00 0.00 -0.302 NA ATOM 34 C LIG 1 -9.486 -0.115 0.903 0.00 0.00 +0.103 C ATOM 35 C LIG 1 -8.101 0.516 0.626 0.00 0.00 +0.120 C ATOM 36 N LIG 1 -7.292 -0.335 -0.264 0.00 0.00 -0.327 N ATOM 37 C LIG 1 -8.040 -1.241 -1.155 0.00 0.00 +0.120 C ATOM 38 C LIG 1 -9.437 -0.659 -1.477 0.00 0.00 +0.103 C ENDBRANCH 26 36 ENDBRANCH 22 29 ENDBRANCH 1 23 TORSDOF 6