REMARK Name = BDB007257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.165 -1.305 2.121 0.00 0.00 +0.079 A ATOM 2 C LIG 1 -0.288 -0.239 2.372 0.00 0.00 +0.143 A ATOM 3 C LIG 1 1.101 -0.471 2.353 0.00 0.00 +0.070 A ATOM 4 C LIG 1 1.670 -1.737 2.112 0.00 0.00 +0.033 A ATOM 5 C LIG 1 0.754 -2.779 1.893 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.630 -2.577 1.911 0.00 0.00 +0.029 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -7.469 -0.516 0.612 0.00 0.00 +0.162 A ATOM 8 C LIG 1 -6.695 0.176 -0.323 0.00 0.00 +0.163 A ATOM 9 C LIG 1 -5.319 0.348 -0.135 0.00 0.00 +0.055 A ATOM 10 C LIG 1 -4.663 -0.230 0.965 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -3.160 -0.050 1.224 0.00 0.00 +0.142 C ATOM 12 N LIG 1 -2.594 -1.156 2.046 0.00 0.00 -0.256 N ATOM 13 C LIG 1 -3.341 -1.810 3.025 0.00 0.00 +0.225 C ATOM 14 C LIG 1 -4.797 -1.430 3.159 0.00 0.00 +0.132 C ATOM 15 O LIG 1 -2.876 -2.635 3.818 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -5.440 -0.918 1.905 0.00 0.00 -0.030 A ATOM 17 C LIG 1 -6.832 -1.054 1.730 0.00 0.00 +0.053 A BRANCH 11 18 ATOM 18 C LIG 1 -2.388 0.124 -0.098 0.00 0.00 -0.022 A ATOM 19 C LIG 1 -2.259 -0.945 -1.006 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -1.554 -0.785 -2.201 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -0.977 0.446 -2.502 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -0.104 0.646 -3.971 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -1.100 1.519 -1.621 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.806 1.361 -0.426 0.00 0.00 +0.007 A ENDBRANCH 11 18 BRANCH 7 26 ATOM 25 C LIG 1 -9.601 -1.380 1.235 0.00 0.00 +0.277 C ATOM 26 O LIG 1 -8.811 -0.599 0.352 0.00 0.00 -0.491 OA ENDBRANCH 7 26 BRANCH 8 27 ATOM 27 O LIG 1 -7.303 0.775 -1.398 0.00 0.00 -0.486 OA BRANCH 27 28 ATOM 28 C LIG 1 -7.011 0.106 -2.635 0.00 0.00 +0.167 C ATOM 29 C LIG 1 -6.808 1.189 -3.690 0.00 0.00 +0.051 C ATOM 30 C LIG 1 -8.188 -0.790 -3.006 0.00 0.00 +0.051 C ENDBRANCH 27 28 ENDBRANCH 8 27 ENDBRANCH 1 12 BRANCH 2 31 ATOM 31 O LIG 1 -0.858 0.976 2.669 0.00 0.00 -0.493 OA ATOM 32 C LIG 1 0.004 2.036 3.060 0.00 0.00 +0.277 C ENDBRANCH 2 31 BRANCH 4 33 ATOM 33 N LIG 1 3.057 -1.940 2.055 0.00 0.00 -0.333 N ATOM 34 C LIG 1 3.546 -3.315 1.903 0.00 0.00 +0.129 C BRANCH 33 35 ATOM 35 C LIG 1 3.995 -1.012 2.713 0.00 0.00 +0.108 C BRANCH 35 36 ATOM 36 C LIG 1 4.822 -0.159 1.724 0.00 0.00 +0.006 C ATOM 37 C LIG 1 3.990 0.889 0.974 0.00 0.00 +0.006 C ATOM 38 C LIG 1 4.863 1.772 0.080 0.00 0.00 +0.019 C ATOM 39 C LIG 1 5.699 0.940 -0.909 0.00 0.00 +0.057 C ATOM 40 C LIG 1 6.526 -0.119 -0.157 0.00 0.00 +0.019 C ATOM 41 C LIG 1 5.641 -0.997 0.729 0.00 0.00 +0.006 C BRANCH 39 42 ATOM 42 N LIG 1 6.480 1.830 -1.784 0.00 0.00 -0.290 NA ATOM 43 C LIG 1 7.683 2.434 -1.182 0.00 0.00 +0.180 C ATOM 44 C LIG 1 8.258 3.520 -2.101 0.00 0.00 +0.227 C ATOM 45 O LIG 1 8.807 4.537 -1.684 0.00 0.00 -0.274 OA ATOM 46 N LIG 1 8.188 3.259 -3.449 0.00 0.00 -0.313 N ATOM 47 H LIG 1 8.686 3.914 -4.040 0.00 0.00 +0.149 HD ATOM 48 C LIG 1 7.883 1.925 -3.907 0.00 0.00 +0.119 C ATOM 49 C LIG 1 6.748 1.245 -3.109 0.00 0.00 +0.104 C ENDBRANCH 39 42 ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 4 33 TORSDOF 10