REMARK Name = BDB057586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.162 -0.892 -0.580 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -1.212 -1.035 -0.557 0.00 0.00 +0.100 A ATOM 3 C LIG 1 -1.468 -1.996 -1.587 0.00 0.00 +0.074 A ATOM 4 C LIG 1 -2.751 -2.630 -1.988 0.00 0.00 +0.068 C ATOM 5 N LIG 1 -0.349 -2.357 -2.232 0.00 0.00 -0.177 NA ATOM 6 N LIG 1 0.619 -1.677 -1.594 0.00 0.00 -0.262 N ATOM 7 H LIG 1 1.587 -1.784 -1.872 0.00 0.00 +0.190 HD ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 -2.088 -0.338 0.380 0.00 0.00 +0.253 C ATOM 9 N LIG 1 -3.389 -0.206 -0.051 0.00 0.00 -0.278 N ATOM 10 H LIG 1 -3.604 -0.467 -1.006 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -1.641 0.119 1.429 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 -4.491 0.365 0.624 0.00 0.00 +0.076 A ATOM 13 C LIG 1 -5.701 0.450 -0.100 0.00 0.00 +0.141 A ATOM 14 C LIG 1 -6.835 0.998 0.506 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -6.771 1.458 1.822 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -5.579 1.370 2.537 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.441 0.823 1.941 0.00 0.00 +0.027 A BRANCH 13 18 ATOM 18 O LIG 1 -5.652 -0.039 -1.387 0.00 0.00 -0.493 OA ATOM 19 C LIG 1 -6.842 0.059 -2.159 0.00 0.00 +0.277 C ENDBRANCH 13 18 ENDBRANCH 9 12 ENDBRANCH 2 8 BRANCH 1 20 ATOM 20 N LIG 1 1.011 -0.163 0.178 0.00 0.00 -0.221 N ATOM 21 H LIG 1 0.605 0.337 0.979 0.00 0.00 +0.176 HD BRANCH 20 23 ATOM 22 C LIG 1 3.030 0.526 0.841 0.00 0.00 +0.138 C ATOM 23 N LIG 1 2.357 -0.188 -0.006 0.00 0.00 -0.189 NA BRANCH 22 27 ATOM 24 C LIG 1 7.296 0.813 0.735 0.00 0.00 +0.120 A ATOM 25 C LIG 1 6.555 1.500 1.702 0.00 0.00 +0.046 A ATOM 26 C LIG 1 5.161 1.405 1.736 0.00 0.00 +0.013 A ATOM 27 C LIG 1 4.502 0.616 0.792 0.00 0.00 -0.005 A ATOM 28 C LIG 1 5.234 -0.073 -0.178 0.00 0.00 +0.013 A ATOM 29 C LIG 1 6.630 0.026 -0.206 0.00 0.00 +0.046 A BRANCH 24 31 ATOM 30 C LIG 1 9.450 0.316 -0.141 0.00 0.00 +0.277 C ATOM 31 O LIG 1 8.649 0.995 0.818 0.00 0.00 -0.495 OA ENDBRANCH 24 31 ENDBRANCH 22 27 ENDBRANCH 20 23 ENDBRANCH 1 20 TORSDOF 7