REMARK Name = BDB048475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.227 0.448 1.584 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -0.180 0.706 1.655 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -0.331 1.609 2.699 0.00 0.00 +0.066 A ATOM 4 C LIG 1 -1.571 2.095 3.112 0.00 0.00 +0.029 A ATOM 5 C LIG 1 -2.700 1.649 2.409 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -2.607 0.783 1.313 0.00 0.00 +0.028 A ATOM 7 N LIG 1 0.934 1.843 3.155 0.00 0.00 -0.276 N ATOM 8 H LIG 1 1.210 2.449 3.918 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -1.337 0.287 0.962 0.00 0.00 +0.035 A ATOM 10 N LIG 1 1.896 1.186 2.489 0.00 0.00 -0.173 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.893 -0.903 -0.726 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.181 -0.064 0.142 0.00 0.00 +0.033 A ATOM 13 C LIG 1 1.944 -0.453 0.680 0.00 0.00 +0.004 A ATOM 14 C LIG 1 1.430 -1.711 0.353 0.00 0.00 +0.010 A ATOM 15 C LIG 1 2.131 -2.552 -0.513 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.355 -2.147 -1.053 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 6.000 -1.043 -2.058 0.00 0.00 +0.241 C ATOM 18 N LIG 1 5.128 -0.423 -1.208 0.00 0.00 -0.282 N ATOM 19 H LIG 1 5.410 0.488 -0.857 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 5.845 -2.129 -2.607 0.00 0.00 -0.270 OA BRANCH 17 22 ATOM 21 C LIG 1 7.967 0.641 -1.757 0.00 0.00 +0.096 C ATOM 22 C LIG 1 7.240 -0.287 -2.397 0.00 0.00 +0.074 C BRANCH 21 24 ATOM 23 O LIG 1 8.705 1.752 0.205 0.00 0.00 -0.246 OA ATOM 24 C LIG 1 7.792 1.296 -0.459 0.00 0.00 +0.330 C BRANCH 24 25 ATOM 25 O LIG 1 6.516 1.441 -0.081 0.00 0.00 -0.478 OA ATOM 26 H LIG 1 6.588 1.907 0.783 0.00 0.00 +0.295 HD ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 N LIG 1 -3.720 0.278 0.633 0.00 0.00 -0.340 N ATOM 28 H LIG 1 -3.489 -0.032 -0.309 0.00 0.00 +0.146 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.984 1.000 0.674 0.00 0.00 +0.136 C BRANCH 29 30 ATOM 30 C LIG 1 -5.954 0.362 -0.293 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -6.525 -0.886 -0.002 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.411 -1.487 -0.896 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.733 -0.849 -2.093 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.165 0.387 -2.398 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.278 0.990 -1.504 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 6 27 TORSDOF 8