REMARK Name = BDB055266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.634 1.299 0.221 0.00 0.00 +0.162 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.806 0.178 -0.091 0.00 0.00 +0.234 C ATOM 3 N LIG 1 1.937 1.198 -0.426 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.968 1.518 -1.388 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 2.621 -0.565 0.873 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 4.017 0.025 -1.042 0.00 0.00 +0.165 C BRANCH 6 7 ATOM 7 N LIG 1 5.041 -0.750 -0.355 0.00 0.00 -0.270 N ATOM 8 H LIG 1 4.773 -1.661 -0.005 0.00 0.00 +0.153 HD ATOM 9 C LIG 1 5.937 -0.131 0.464 0.00 0.00 +0.401 C ATOM 10 O LIG 1 6.166 1.067 0.471 0.00 0.00 -0.226 OA BRANCH 9 11 ATOM 11 O LIG 1 6.497 -1.060 1.270 0.00 0.00 -0.445 OA BRANCH 11 12 ATOM 12 C LIG 1 7.428 -0.672 2.312 0.00 0.00 +0.107 C ATOM 13 C LIG 1 6.759 0.251 3.338 0.00 0.00 +0.055 C ATOM 14 C LIG 1 8.700 -0.048 1.729 0.00 0.00 +0.055 C ATOM 15 C LIG 1 7.806 -1.990 3.008 0.00 0.00 +0.055 C ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 16 ATOM 16 C LIG 1 3.603 -0.602 -2.398 0.00 0.00 +0.015 C ATOM 17 C LIG 1 4.774 -0.527 -3.387 0.00 0.00 +0.010 C BRANCH 16 19 ATOM 18 C LIG 1 2.475 -2.605 -3.533 0.00 0.00 +0.004 C ATOM 19 C LIG 1 3.076 -2.046 -2.250 0.00 0.00 +0.002 C ENDBRANCH 16 19 ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 -0.411 0.544 -0.635 0.00 0.00 +0.234 C ATOM 21 N LIG 1 -1.565 0.204 0.042 0.00 0.00 -0.308 N ATOM 22 H LIG 1 -1.593 0.340 1.045 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -0.231 0.295 -1.825 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 -2.637 -0.595 -0.578 0.00 0.00 +0.104 C BRANCH 24 25 ATOM 25 C LIG 1 -3.519 0.265 -1.536 0.00 0.00 +0.163 C BRANCH 25 26 ATOM 26 O LIG 1 -4.235 -0.598 -2.439 0.00 0.00 -0.387 OA ATOM 27 H LIG 1 -5.115 -0.724 -2.036 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -4.546 1.251 -0.917 0.00 0.00 +0.145 C BRANCH 28 29 ATOM 29 O LIG 1 -5.619 0.495 -0.341 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 -6.306 1.117 -0.059 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -3.950 2.221 0.111 0.00 0.00 +0.037 C BRANCH 31 32 ATOM 32 C LIG 1 -4.891 3.365 0.548 0.00 0.00 -0.015 C ATOM 33 C LIG 1 -5.182 4.339 -0.595 0.00 0.00 +0.007 C ATOM 34 C LIG 1 -4.268 4.122 1.723 0.00 0.00 +0.007 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 25 28 ENDBRANCH 24 25 BRANCH 24 35 ATOM 35 C LIG 1 -3.364 -1.389 0.532 0.00 0.00 +0.028 C BRANCH 35 36 ATOM 36 C LIG 1 -4.336 -2.507 0.101 0.00 0.00 -0.009 C ATOM 37 C LIG 1 -3.679 -3.592 -0.761 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -4.694 -4.636 -1.243 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -5.878 -4.829 -0.295 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -5.483 -4.567 1.151 0.00 0.00 +0.000 C ATOM 41 C LIG 1 -4.984 -3.135 1.357 0.00 0.00 +0.003 C ENDBRANCH 35 36 ENDBRANCH 24 35 ENDBRANCH 21 24 ENDBRANCH 1 20 BRANCH 1 42 ATOM 42 C LIG 1 0.221 2.762 0.517 0.00 0.00 +0.015 C ATOM 43 C LIG 1 0.935 3.240 1.792 0.00 0.00 +0.010 C BRANCH 42 44 ATOM 44 C LIG 1 0.486 3.792 -0.605 0.00 0.00 +0.002 C ATOM 45 C LIG 1 -0.223 3.521 -1.922 0.00 0.00 +0.004 C ENDBRANCH 42 44 ENDBRANCH 1 42 TORSDOF 19