REMARK Name = BDB054153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.372 -1.491 0.438 0.00 0.00 -0.307 N ATOM 2 H LIG 1 0.433 -1.424 -0.569 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 1.520 -1.519 1.196 0.00 0.00 +0.245 C ATOM 4 O LIG 1 1.541 -1.697 2.406 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 2.776 -1.321 0.429 0.00 0.00 +0.044 A ATOM 6 C LIG 1 3.690 -0.290 0.759 0.00 0.00 -0.005 A ATOM 7 C LIG 1 4.865 -0.164 -0.025 0.00 0.00 -0.002 A ATOM 8 C LIG 1 5.110 -1.058 -1.099 0.00 0.00 -0.017 A ATOM 9 C LIG 1 6.277 -0.922 -1.861 0.00 0.00 +0.009 A ATOM 10 C LIG 1 7.201 0.085 -1.580 0.00 0.00 +0.009 A ATOM 11 C LIG 1 6.982 0.982 -0.529 0.00 0.00 -0.017 A ATOM 12 C LIG 1 7.906 1.998 -0.239 0.00 0.00 +0.008 A ATOM 13 C LIG 1 7.679 2.885 0.811 0.00 0.00 +0.001 A ATOM 14 C LIG 1 6.526 2.769 1.584 0.00 0.00 +0.008 A ATOM 15 C LIG 1 5.585 1.764 1.318 0.00 0.00 -0.017 A ATOM 16 C LIG 1 4.425 1.637 2.086 0.00 0.00 +0.009 A ATOM 17 C LIG 1 4.188 -2.071 -1.387 0.00 0.00 +0.009 A ATOM 18 C LIG 1 5.810 0.860 0.255 0.00 0.00 -0.002 A ATOM 19 C LIG 1 3.496 0.632 1.811 0.00 0.00 +0.010 A ATOM 20 C LIG 1 3.028 -2.204 -0.630 0.00 0.00 +0.014 A ENDBRANCH 3 5 BRANCH 1 21 ATOM 21 C LIG 1 -0.911 -1.816 1.015 0.00 0.00 +0.143 C BRANCH 21 24 ATOM 22 C LIG 1 -3.662 0.299 -0.561 0.00 0.00 -0.046 A ATOM 23 C LIG 1 -2.629 -0.139 0.276 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -2.035 -1.401 0.097 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -2.468 -2.227 -0.957 0.00 0.00 +0.125 A ATOM 26 C LIG 1 -3.498 -1.788 -1.793 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -4.092 -0.538 -1.595 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 O LIG 1 -1.814 -3.423 -1.088 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 -2.272 -4.317 -2.095 0.00 0.00 +0.277 C ENDBRANCH 25 28 BRANCH 22 30 ATOM 30 C LIG 1 -4.320 1.641 -0.336 0.00 0.00 +0.049 C BRANCH 30 31 ATOM 31 C LIG 1 -5.673 1.515 0.384 0.00 0.00 +0.102 C BRANCH 31 33 ATOM 32 C LIG 1 -7.928 2.665 0.708 0.00 0.00 +0.004 C ATOM 33 C LIG 1 -6.504 2.798 0.183 0.00 0.00 +0.011 C ENDBRANCH 31 33 BRANCH 31 34 ATOM 34 C LIG 1 -5.428 1.264 1.863 0.00 0.00 +0.308 C ATOM 35 O LIG 1 -5.316 2.141 2.707 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -5.324 -0.047 2.178 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -5.339 -0.646 1.406 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 22 30 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 9