REMARK Name = BDB031143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.484 -0.137 -1.801 0.00 0.00 +0.143 A ATOM 2 N LIG 1 0.987 0.482 -0.662 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 -0.276 0.767 -0.912 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -0.625 0.343 -2.171 0.00 0.00 -0.346 N ATOM 5 H LIG 1 -1.560 0.411 -2.562 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 0.478 -0.214 -2.747 0.00 0.00 +0.117 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.267 1.456 -0.017 0.00 0.00 +0.145 C ATOM 8 N LIG 1 -2.209 0.473 0.515 0.00 0.00 -0.287 N ATOM 9 C LIG 1 -3.240 -0.028 -0.255 0.00 0.00 +0.237 C ATOM 10 O LIG 1 -3.346 0.309 -1.438 0.00 0.00 -0.274 OA ATOM 11 C LIG 1 -1.917 0.180 1.915 0.00 0.00 +0.140 C ATOM 12 C LIG 1 -0.587 0.881 2.204 0.00 0.00 +0.134 C ATOM 13 C LIG 1 -0.614 2.055 1.229 0.00 0.00 +0.063 C BRANCH 12 14 ATOM 14 O LIG 1 -0.512 1.335 3.546 0.00 0.00 -0.390 OA ATOM 15 H LIG 1 0.324 1.825 3.638 0.00 0.00 +0.210 HD ENDBRANCH 12 14 BRANCH 9 16 ATOM 16 C LIG 1 -4.218 -1.042 0.410 0.00 0.00 +0.164 C BRANCH 16 17 ATOM 17 N LIG 1 -4.919 -0.478 1.575 0.00 0.00 -0.304 N ATOM 18 H LIG 1 -5.159 -1.145 2.300 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -5.737 0.608 1.659 0.00 0.00 +0.211 C ATOM 20 O LIG 1 -6.548 0.662 2.583 0.00 0.00 -0.276 OA ATOM 21 C LIG 1 -5.566 1.750 0.698 0.00 0.00 +0.109 C ENDBRANCH 16 17 BRANCH 16 22 ATOM 22 C LIG 1 -5.139 -1.877 -0.549 0.00 0.00 -0.011 C ATOM 23 C LIG 1 -5.910 -2.939 0.276 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -6.177 -1.046 -1.317 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -4.272 -2.649 -1.570 0.00 0.00 +0.013 C ENDBRANCH 16 22 ENDBRANCH 9 16 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 N LIG 1 3.693 -0.811 -0.899 0.00 0.00 -0.295 N ATOM 27 C LIG 1 2.873 -0.588 -2.010 0.00 0.00 +0.266 C ATOM 28 O LIG 1 3.291 -0.757 -3.158 0.00 0.00 -0.268 OA ATOM 29 C LIG 1 3.246 -0.713 0.482 0.00 0.00 +0.132 C BRANCH 26 30 ATOM 30 C LIG 1 5.130 -0.957 -1.115 0.00 0.00 +0.146 C BRANCH 30 32 ATOM 31 C LIG 1 6.673 0.467 0.345 0.00 0.00 +0.125 A ATOM 32 C LIG 1 5.892 0.319 -0.817 0.00 0.00 +0.011 A ATOM 33 C LIG 1 5.801 1.389 -1.726 0.00 0.00 +0.009 A ATOM 34 C LIG 1 6.470 2.587 -1.487 0.00 0.00 +0.001 A ATOM 35 C LIG 1 7.236 2.731 -0.335 0.00 0.00 +0.004 A ATOM 36 C LIG 1 7.336 1.678 0.578 0.00 0.00 +0.046 A BRANCH 31 38 ATOM 37 C LIG 1 7.620 -0.555 2.283 0.00 0.00 +0.277 C ATOM 38 O LIG 1 6.716 -0.613 1.187 0.00 0.00 -0.495 OA ENDBRANCH 31 38 ENDBRANCH 30 32 ENDBRANCH 26 30 ENDBRANCH 1 27 TORSDOF 9