REMARK Name = BDB056823 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.665 1.549 -0.921 0.00 0.00 +0.096 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.110 1.538 -0.693 0.00 0.00 +0.043 C ATOM 3 C LIG 1 0.626 0.316 -1.279 0.00 0.00 +0.114 C ATOM 4 N LIG 1 2.035 0.260 -0.852 0.00 0.00 -0.301 N ATOM 5 C LIG 1 2.651 -0.987 -0.776 0.00 0.00 +0.216 C ATOM 6 O LIG 1 2.087 -2.021 -1.134 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 2.701 1.524 -0.545 0.00 0.00 +0.108 C ATOM 8 C LIG 1 2.100 2.681 -1.329 0.00 0.00 +0.019 C ATOM 9 C LIG 1 0.607 2.859 -1.050 0.00 0.00 +0.010 C BRANCH 5 10 ATOM 10 C LIG 1 4.079 -1.010 -0.244 0.00 0.00 +0.096 C BRANCH 10 11 ATOM 11 C LIG 1 4.604 -2.419 0.058 0.00 0.00 +0.013 C BRANCH 11 12 ATOM 12 C LIG 1 3.935 -3.120 1.263 0.00 0.00 -0.008 C ATOM 13 C LIG 1 4.401 -4.584 1.368 0.00 0.00 +0.018 C ATOM 14 C LIG 1 5.829 -4.707 1.901 0.00 0.00 +0.081 C ATOM 15 N LIG 1 5.993 -4.030 3.190 0.00 0.00 -0.316 NA ATOM 16 H LIG 1 5.383 -4.480 3.873 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 5.633 -2.615 3.095 0.00 0.00 +0.081 C ATOM 18 C LIG 1 4.195 -2.426 2.610 0.00 0.00 +0.018 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 5 10 ENDBRANCH 1 2 BRANCH 1 20 ATOM 19 C LIG 1 -2.764 1.521 1.486 0.00 0.00 +0.023 A ATOM 20 C LIG 1 -2.340 2.223 0.317 0.00 0.00 -0.005 A ATOM 21 C LIG 1 -2.492 3.634 0.315 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -3.063 4.329 1.383 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -3.492 3.638 2.501 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -3.338 2.258 2.547 0.00 0.00 +0.131 A ATOM 25 F LIG 1 -3.754 1.625 3.656 0.00 0.00 -0.205 F BRANCH 19 28 ATOM 26 C LIG 1 -1.311 -1.929 2.146 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -1.423 -0.539 1.994 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -2.651 0.064 1.677 0.00 0.00 -0.015 A ATOM 29 C LIG 1 -3.787 -0.757 1.570 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -3.691 -2.139 1.735 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -2.457 -2.723 2.017 0.00 0.00 +0.003 A BRANCH 26 33 ATOM 32 C LIG 1 0.212 -2.755 3.957 0.00 0.00 +0.009 C ATOM 33 C LIG 1 0.022 -2.557 2.461 0.00 0.00 +0.032 C ENDBRANCH 26 33 ENDBRANCH 19 28 ENDBRANCH 1 20 BRANCH 1 34 ATOM 34 O LIG 1 -2.110 0.195 -1.052 0.00 0.00 -0.384 OA ATOM 35 H LIG 1 -3.061 0.167 -0.853 0.00 0.00 +0.211 HD ENDBRANCH 1 34 BRANCH 1 36 ATOM 36 C LIG 1 -2.156 2.197 -2.256 0.00 0.00 +0.041 C BRANCH 36 37 ATOM 37 C LIG 1 -1.653 1.528 -3.545 0.00 0.00 +0.022 C BRANCH 37 38 ATOM 38 C LIG 1 -2.245 2.153 -4.810 0.00 0.00 +0.107 C BRANCH 38 39 ATOM 39 N LIG 1 -3.660 1.901 -4.945 0.00 0.00 -0.281 N ATOM 40 H LIG 1 -3.990 0.994 -5.246 0.00 0.00 +0.152 HD ATOM 41 C LIG 1 -4.620 2.802 -4.601 0.00 0.00 +0.400 C ATOM 42 O LIG 1 -4.416 3.926 -4.168 0.00 0.00 -0.226 OA BRANCH 41 43 ATOM 43 O LIG 1 -5.838 2.245 -4.801 0.00 0.00 -0.454 OA ATOM 44 C LIG 1 -6.928 3.100 -4.456 0.00 0.00 +0.282 C ENDBRANCH 41 43 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 1 36 TORSDOF 13