REMARK Name = BDB043573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.488 -1.185 0.925 0.00 0.00 +0.159 C ATOM 2 C LIG 1 0.684 -2.018 -0.362 0.00 0.00 +0.234 C ATOM 3 O LIG 1 -0.118 -2.921 -0.643 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 1.718 -1.868 -1.228 0.00 0.00 -0.308 N ATOM 5 H LIG 1 1.614 -2.531 -1.990 0.00 0.00 +0.149 HD ATOM 6 C LIG 1 2.794 -0.875 -1.450 0.00 0.00 +0.109 C ATOM 7 C LIG 1 4.051 -1.076 -0.556 0.00 0.00 +0.200 C ATOM 8 C LIG 1 4.595 -2.519 -0.739 0.00 0.00 +0.163 C ATOM 9 O LIG 1 4.810 -2.969 -1.870 0.00 0.00 -0.295 OA ATOM 10 C LIG 1 4.955 -3.357 0.482 0.00 0.00 +0.078 C ATOM 11 C LIG 1 3.846 -3.348 1.519 0.00 0.00 +0.026 C ATOM 12 C LIG 1 3.490 -4.683 2.154 0.00 0.00 +0.104 C ATOM 13 N LIG 1 2.658 -4.507 3.341 0.00 0.00 -0.315 N ATOM 14 H LIG 1 2.990 -4.918 4.206 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 1.381 -4.034 3.470 0.00 0.00 +0.213 C ATOM 16 O LIG 1 0.840 -4.090 4.574 0.00 0.00 -0.276 OA ATOM 17 C LIG 1 0.674 -3.409 2.283 0.00 0.00 +0.098 C ATOM 18 C LIG 1 0.938 -1.896 2.217 0.00 0.00 +0.041 C ENDROOT BRANCH 1 20 ATOM 19 C LIG 1 -1.506 0.141 0.291 0.00 0.00 +0.234 C ATOM 20 N LIG 1 -0.941 -0.872 1.034 0.00 0.00 -0.302 N ATOM 21 H LIG 1 -1.546 -1.624 1.345 0.00 0.00 +0.150 HD ATOM 22 O LIG 1 -0.839 0.870 -0.446 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 -3.028 0.329 0.463 0.00 0.00 +0.166 C BRANCH 23 25 ATOM 24 C LIG 1 -4.292 2.452 0.340 0.00 0.00 +0.401 C ATOM 25 N LIG 1 -3.359 1.606 -0.161 0.00 0.00 -0.269 N ATOM 26 H LIG 1 -2.713 1.988 -0.846 0.00 0.00 +0.153 HD ATOM 27 O LIG 1 -5.027 2.195 1.279 0.00 0.00 -0.226 OA BRANCH 24 28 ATOM 28 O LIG 1 -4.250 3.609 -0.358 0.00 0.00 -0.445 OA BRANCH 28 30 ATOM 29 C LIG 1 -4.743 5.251 1.408 0.00 0.00 +0.055 C ATOM 30 C LIG 1 -5.099 4.728 0.011 0.00 0.00 +0.107 C ATOM 31 C LIG 1 -4.771 5.820 -1.019 0.00 0.00 +0.055 C ATOM 32 C LIG 1 -6.587 4.373 -0.106 0.00 0.00 +0.055 C ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 23 25 BRANCH 23 33 ATOM 33 C LIG 1 -3.842 -0.804 -0.180 0.00 0.00 +0.067 C BRANCH 33 34 ATOM 34 C LIG 1 -3.942 -2.047 0.674 0.00 0.00 -0.045 A ATOM 35 C LIG 1 -3.348 -3.246 0.260 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -3.409 -4.381 1.069 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.076 -4.334 2.291 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.686 -3.151 2.705 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.622 -2.013 1.900 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 23 33 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 7 40 ATOM 40 O LIG 1 3.789 -0.624 0.761 0.00 0.00 -0.382 OA ATOM 41 H LIG 1 4.644 -0.416 1.179 0.00 0.00 +0.210 HD ENDBRANCH 7 40 BRANCH 6 42 ATOM 42 C LIG 1 2.259 0.572 -1.498 0.00 0.00 +0.028 C BRANCH 42 43 ATOM 43 C LIG 1 3.243 1.626 -2.049 0.00 0.00 -0.009 C ATOM 44 C LIG 1 3.688 1.317 -3.493 0.00 0.00 +0.003 C ATOM 45 C LIG 1 4.109 2.558 -4.287 0.00 0.00 +0.000 C ATOM 46 C LIG 1 4.664 3.650 -3.384 0.00 0.00 +0.000 C ATOM 47 C LIG 1 3.628 4.116 -2.358 0.00 0.00 +0.000 C ATOM 48 C LIG 1 2.622 3.029 -1.971 0.00 0.00 +0.003 C ENDBRANCH 42 43 ENDBRANCH 6 42 TORSDOF 10