REMARK Name = BDB000265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.878 -3.220 0.449 0.00 0.00 +0.038 C ATOM 2 C LIG 1 -2.229 -3.525 -0.302 0.00 0.00 +0.075 C ATOM 3 C LIG 1 -2.860 -4.862 0.185 0.00 0.00 +0.100 C ATOM 4 N LIG 1 -1.837 -5.862 0.474 0.00 0.00 -0.314 NA ATOM 5 H LIG 1 -2.267 -6.768 0.663 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -0.999 -5.471 1.610 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -0.853 -3.954 1.801 0.00 0.00 +0.025 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 0.321 0.971 0.412 0.00 0.00 +0.121 A ATOM 9 C LIG 1 0.193 0.249 -0.770 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -0.191 -1.097 -0.734 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.463 -1.751 0.480 0.00 0.00 -0.042 A ATOM 12 C LIG 1 -0.324 -1.014 1.662 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.062 0.331 1.625 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 0.680 2.284 0.530 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 1.036 3.013 -0.644 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 2.485 2.763 -1.054 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 3.463 3.078 0.076 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 4.817 2.978 -0.368 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 5.290 1.627 -0.419 0.00 0.00 +0.198 C BRANCH 19 21 ATOM 20 C LIG 1 7.383 0.302 -0.922 0.00 0.00 +0.125 A ATOM 21 C LIG 1 6.775 1.558 -0.719 0.00 0.00 +0.020 A ATOM 22 C LIG 1 7.568 2.716 -0.778 0.00 0.00 +0.009 A ATOM 23 C LIG 1 8.935 2.635 -1.041 0.00 0.00 +0.001 A ATOM 24 C LIG 1 9.528 1.393 -1.244 0.00 0.00 +0.004 A ATOM 25 C LIG 1 8.757 0.230 -1.183 0.00 0.00 +0.046 A BRANCH 20 27 ATOM 26 C LIG 1 7.110 -2.064 -1.081 0.00 0.00 +0.277 C ATOM 27 O LIG 1 6.546 -0.782 -0.840 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 28 ATOM 28 N LIG 1 -3.213 -2.429 -0.388 0.00 0.00 -0.308 NA ATOM 29 H LIG 1 -3.938 -2.660 -1.067 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.849 -2.037 0.864 0.00 0.00 +0.116 C BRANCH 30 31 ATOM 31 C LIG 1 -4.620 -0.751 0.680 0.00 0.00 -0.033 A ATOM 32 C LIG 1 -3.936 0.454 0.474 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -4.613 1.671 0.300 0.00 0.00 -0.017 A ATOM 34 C LIG 1 -6.031 1.709 0.330 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -6.665 2.971 0.141 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -5.899 4.133 -0.069 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -4.511 4.070 -0.094 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.704 0.476 0.529 0.00 0.00 +0.009 A ATOM 39 C LIG 1 -3.875 2.847 0.091 0.00 0.00 +0.008 A ATOM 40 C LIG 1 -6.013 -0.729 0.702 0.00 0.00 +0.005 A BRANCH 35 41 ATOM 41 C LIG 1 -8.146 3.116 0.181 0.00 0.00 +0.337 C ATOM 42 O LIG 1 -8.944 2.450 0.812 0.00 0.00 -0.245 OA BRANCH 41 43 ATOM 43 O LIG 1 -8.572 4.116 -0.617 0.00 0.00 -0.477 OA ATOM 44 H LIG 1 -9.547 4.092 -0.522 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 35 41 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 2 28 TORSDOF 14