REMARK Name = BDB032810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.624 0.488 0.209 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.646 1.078 0.997 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.696 1.336 2.184 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.502 1.351 0.120 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.798 0.852 -1.146 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -2.878 0.967 -2.171 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -1.659 1.599 -1.896 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -1.365 2.112 -0.610 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -2.305 1.974 0.421 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -5.148 0.216 -1.142 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -9.946 -2.804 0.915 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -9.038 -1.980 0.959 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -7.763 -2.350 1.304 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -7.632 -3.345 1.427 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.615 -1.652 1.004 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.539 -2.240 0.916 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -6.804 -0.141 0.788 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -8.057 0.087 -0.052 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -9.259 -0.516 0.660 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 -0.030 2.757 -0.339 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 0.862 1.789 0.226 0.00 0.00 -0.446 OA BRANCH 21 22 ATOM 22 C LIG 1 1.702 1.188 -0.646 0.00 0.00 +0.401 C ATOM 23 N LIG 1 2.467 0.286 0.029 0.00 0.00 -0.274 N ATOM 24 H LIG 1 2.419 0.372 1.036 0.00 0.00 +0.152 HD ATOM 25 O LIG 1 1.784 1.422 -1.842 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 3.629 -0.350 -0.584 0.00 0.00 +0.128 C ATOM 27 C LIG 1 4.857 0.568 -0.538 0.00 0.00 +0.188 C ATOM 28 O LIG 1 5.478 0.434 0.742 0.00 0.00 -0.345 OA ATOM 29 C LIG 1 6.047 -0.873 0.908 0.00 0.00 +0.282 C ATOM 30 O LIG 1 5.371 -1.881 0.146 0.00 0.00 -0.345 OA ATOM 31 C LIG 1 3.964 -1.664 0.134 0.00 0.00 +0.188 C BRANCH 29 32 ATOM 32 C LIG 1 7.532 -0.844 0.577 0.00 0.00 +0.008 A ATOM 33 C LIG 1 8.320 0.254 0.965 0.00 0.00 +0.008 A ATOM 34 C LIG 1 9.690 0.285 0.698 0.00 0.00 +0.000 A ATOM 35 C LIG 1 10.297 -0.785 0.047 0.00 0.00 +0.000 A ATOM 36 C LIG 1 9.536 -1.888 -0.333 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.165 -1.919 -0.066 0.00 0.00 +0.008 A ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6