REMARK Name = BDB056793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.077 0.847 0.199 0.00 0.00 +0.096 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.267 0.136 1.558 0.00 0.00 +0.043 C ATOM 3 C LIG 1 1.346 -0.965 1.409 0.00 0.00 +0.114 C ATOM 4 N LIG 1 2.682 -0.507 1.790 0.00 0.00 -0.301 N ATOM 5 C LIG 1 3.832 -0.586 1.012 0.00 0.00 +0.219 C ATOM 6 O LIG 1 4.927 -0.231 1.458 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 2.825 0.016 3.147 0.00 0.00 +0.108 C ATOM 8 C LIG 1 1.491 0.425 3.766 0.00 0.00 +0.019 C ATOM 9 C LIG 1 0.623 1.109 2.713 0.00 0.00 +0.010 C BRANCH 5 10 ATOM 10 C LIG 1 3.720 -1.151 -0.402 0.00 0.00 +0.078 C ATOM 11 C LIG 1 3.680 -2.683 -0.373 0.00 0.00 +0.028 C ATOM 12 C LIG 1 3.642 -3.250 -1.790 0.00 0.00 +0.081 C ATOM 13 N LIG 1 4.772 -2.788 -2.597 0.00 0.00 -0.316 NA ATOM 14 H LIG 1 5.639 -3.115 -2.168 0.00 0.00 +0.122 HD ATOM 15 C LIG 1 4.810 -1.325 -2.666 0.00 0.00 +0.081 C ATOM 16 C LIG 1 4.896 -0.695 -1.278 0.00 0.00 +0.028 C ENDBRANCH 5 10 ENDBRANCH 1 2 BRANCH 1 18 ATOM 17 C LIG 1 -1.597 -1.058 -0.846 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -0.513 -0.139 -0.925 0.00 0.00 -0.005 A ATOM 19 C LIG 1 0.225 -0.116 -2.142 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -0.054 -0.963 -3.216 0.00 0.00 +0.003 A ATOM 21 C LIG 1 -1.098 -1.863 -3.120 0.00 0.00 +0.039 A ATOM 22 C LIG 1 -1.853 -1.900 -1.956 0.00 0.00 +0.131 A ATOM 23 F LIG 1 -2.866 -2.781 -1.905 0.00 0.00 -0.205 F BRANCH 17 26 ATOM 24 C LIG 1 -3.158 -2.418 2.334 0.00 0.00 -0.047 A ATOM 25 C LIG 1 -2.290 -2.237 1.246 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -2.500 -1.213 0.305 0.00 0.00 -0.015 A ATOM 27 C LIG 1 -3.644 -0.415 0.438 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -4.519 -0.591 1.511 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -4.273 -1.584 2.458 0.00 0.00 +0.003 A BRANCH 24 31 ATOM 30 C LIG 1 -3.558 -4.830 2.893 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -2.913 -3.524 3.329 0.00 0.00 +0.032 C ENDBRANCH 24 31 ENDBRANCH 17 26 ENDBRANCH 1 18 BRANCH 1 32 ATOM 32 O LIG 1 1.144 1.488 -0.229 0.00 0.00 -0.384 OA ATOM 33 H LIG 1 1.298 2.279 0.314 0.00 0.00 +0.211 HD ENDBRANCH 1 32 BRANCH 1 34 ATOM 34 C LIG 1 -1.122 1.982 0.397 0.00 0.00 +0.041 C BRANCH 34 35 ATOM 35 C LIG 1 -1.492 2.741 -0.887 0.00 0.00 +0.022 C BRANCH 35 36 ATOM 36 C LIG 1 -2.484 3.865 -0.593 0.00 0.00 +0.107 C BRANCH 36 37 ATOM 37 N LIG 1 -2.800 4.617 -1.783 0.00 0.00 -0.281 N ATOM 38 H LIG 1 -3.524 4.304 -2.414 0.00 0.00 +0.152 HD ATOM 39 C LIG 1 -2.017 5.634 -2.236 0.00 0.00 +0.400 C ATOM 40 O LIG 1 -1.032 6.078 -1.667 0.00 0.00 -0.226 OA BRANCH 39 41 ATOM 41 O LIG 1 -2.502 6.067 -3.425 0.00 0.00 -0.454 OA ATOM 42 C LIG 1 -1.750 7.136 -4.000 0.00 0.00 +0.282 C ENDBRANCH 39 41 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 11