REMARK Name = BDB048106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.184 -1.164 2.482 0.00 0.00 -0.476 OA ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -3.681 0.221 0.801 0.00 0.00 -0.028 A ATOM 3 C LIG 1 -2.462 0.275 0.131 0.00 0.00 +0.118 A ATOM 4 N LIG 1 -1.295 -0.176 0.640 0.00 0.00 -0.221 NA ATOM 5 C LIG 1 -1.337 -0.694 1.886 0.00 0.00 +0.215 A ATOM 6 C LIG 1 -2.495 -0.783 2.642 0.00 0.00 +0.067 A ATOM 7 C LIG 1 -3.685 -0.320 2.088 0.00 0.00 +0.010 A BRANCH 2 8 ATOM 8 C LIG 1 -4.952 0.694 0.143 0.00 0.00 +0.051 C BRANCH 8 9 ATOM 9 C LIG 1 -5.557 -0.373 -0.784 0.00 0.00 +0.102 C BRANCH 9 11 ATOM 10 C LIG 1 -5.959 1.029 -2.884 0.00 0.00 +0.004 C ATOM 11 C LIG 1 -6.592 0.220 -1.759 0.00 0.00 +0.011 C ENDBRANCH 9 11 BRANCH 9 12 ATOM 12 C LIG 1 -6.242 -1.434 0.063 0.00 0.00 +0.308 C ATOM 13 O LIG 1 -7.381 -1.339 0.497 0.00 0.00 -0.251 OA BRANCH 12 14 ATOM 14 O LIG 1 -5.463 -2.506 0.329 0.00 0.00 -0.480 OA ATOM 15 H LIG 1 -4.548 -2.442 -0.008 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 16 ATOM 16 C LIG 1 0.980 -1.107 1.651 0.00 0.00 +0.237 C BRANCH 16 17 ATOM 17 C LIG 1 1.637 0.270 1.713 0.00 0.00 +0.100 C BRANCH 17 18 ATOM 18 C LIG 1 2.766 0.389 0.758 0.00 0.00 +0.086 A ATOM 19 C LIG 1 2.752 0.789 -0.561 0.00 0.00 +0.126 A ATOM 20 C LIG 1 1.704 1.229 -1.497 0.00 0.00 +0.088 C ATOM 21 O LIG 1 4.032 0.724 -1.032 0.00 0.00 -0.440 OA ATOM 22 C LIG 1 4.768 0.284 0.039 0.00 0.00 +0.228 A ATOM 23 N LIG 1 4.051 0.066 1.127 0.00 0.00 -0.214 NA BRANCH 22 24 ATOM 24 C LIG 1 6.204 0.116 -0.169 0.00 0.00 +0.037 A ATOM 25 C LIG 1 7.010 -0.332 0.889 0.00 0.00 +0.013 A ATOM 26 C LIG 1 8.386 -0.502 0.720 0.00 0.00 +0.001 A ATOM 27 C LIG 1 8.976 -0.225 -0.511 0.00 0.00 +0.000 A ATOM 28 C LIG 1 8.191 0.221 -1.573 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.814 0.391 -1.403 0.00 0.00 +0.013 A ENDBRANCH 22 24 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 10