REMARK Name = BDB051399 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.377 0.403 -0.457 0.00 0.00 +0.018 C ATOM 2 C LIG 1 -3.338 -0.764 -0.674 0.00 0.00 +0.008 C ATOM 3 C LIG 1 -1.803 -0.445 -0.653 0.00 0.00 -0.000 C ATOM 4 C LIG 1 -0.999 -0.771 0.663 0.00 0.00 -0.021 C ATOM 5 C LIG 1 -1.528 -2.074 1.312 0.00 0.00 +0.039 C ATOM 6 C LIG 1 -3.035 -2.088 1.537 0.00 0.00 +0.121 C ATOM 7 C LIG 1 -1.320 0.399 1.640 0.00 0.00 +0.012 C ATOM 8 C LIG 1 0.634 -0.874 0.393 0.00 0.00 -0.023 C ATOM 9 C LIG 1 0.999 0.002 -0.853 0.00 0.00 +0.002 C ATOM 10 C LIG 1 2.543 0.423 -1.109 0.00 0.00 -0.015 C ATOM 11 C LIG 1 3.239 0.852 0.265 0.00 0.00 +0.012 C ATOM 12 C LIG 1 2.917 -0.195 1.369 0.00 0.00 +0.006 C ATOM 13 C LIG 1 3.362 -0.707 -1.777 0.00 0.00 +0.012 C ATOM 14 C LIG 1 0.282 -0.548 -2.115 0.00 0.00 +0.005 C ATOM 15 C LIG 1 1.078 -2.350 0.176 0.00 0.00 +0.012 C ATOM 16 C LIG 1 1.425 -0.343 1.612 0.00 0.00 +0.008 C ATOM 17 C LIG 1 -1.131 -1.085 -1.875 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -3.835 -1.947 0.220 0.00 0.00 -0.002 C ATOM 19 C LIG 1 -3.841 -3.266 -0.581 0.00 0.00 +0.014 C ATOM 20 C LIG 1 -5.294 -1.563 0.555 0.00 0.00 +0.010 C ATOM 21 C LIG 1 -5.252 -0.050 0.718 0.00 0.00 +0.009 C ENDROOT BRANCH 1 23 ATOM 22 C LIG 1 -3.420 2.397 -1.598 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -3.945 1.858 -0.483 0.00 0.00 -0.076 C ATOM 24 C LIG 1 -4.210 2.728 0.716 0.00 0.00 +0.039 C ENDBRANCH 1 23 BRANCH 11 25 ATOM 25 C LIG 1 4.794 1.238 0.348 0.00 0.00 +0.065 C ATOM 26 C LIG 1 5.365 2.066 -0.816 0.00 0.00 +0.023 C ATOM 27 C LIG 1 5.005 2.150 1.596 0.00 0.00 +0.023 C BRANCH 25 28 ATOM 28 C LIG 1 5.692 0.012 0.572 0.00 0.00 +0.311 C ATOM 29 O LIG 1 5.947 -0.515 1.645 0.00 0.00 -0.250 OA BRANCH 28 30 ATOM 30 O LIG 1 6.216 -0.513 -0.550 0.00 0.00 -0.480 OA ATOM 31 H LIG 1 6.745 -1.272 -0.226 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 25 28 ENDBRANCH 11 25 BRANCH 6 32 ATOM 32 O LIG 1 -3.392 -3.291 2.226 0.00 0.00 -0.391 OA ATOM 33 H LIG 1 -2.961 -4.039 1.780 0.00 0.00 +0.210 HD ENDBRANCH 6 32 BRANCH 10 34 ATOM 34 C LIG 1 2.513 1.588 -2.167 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 1.688 2.804 -1.820 0.00 0.00 +0.305 C ATOM 36 O LIG 1 0.561 3.045 -2.219 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 2.319 3.666 -1.005 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 1.670 4.390 -0.880 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 10 34 TORSDOF 8