REMARK Name = BDB049756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.123 0.732 -1.054 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.655 0.926 0.093 0.00 0.00 +0.049 A ATOM 3 C LIG 1 1.666 1.900 0.135 0.00 0.00 -0.039 A ATOM 4 C LIG 1 1.883 2.688 -1.003 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.110 2.501 -2.149 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.110 1.525 -2.175 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -1.065 -0.250 -0.933 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 -1.946 -0.514 -2.029 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 -3.136 0.446 -2.045 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 -3.189 1.144 1.258 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -4.121 0.443 0.358 0.00 0.00 +0.126 A ATOM 12 C LIG 1 -4.134 0.134 -0.986 0.00 0.00 +0.086 A ATOM 13 N LIG 1 -5.284 -0.563 -1.286 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 -5.918 -0.658 -0.131 0.00 0.00 +0.228 A ATOM 15 O LIG 1 -5.261 -0.063 0.915 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 -7.197 -1.297 0.170 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -7.925 -1.911 -0.862 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -9.150 -2.530 -0.604 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -9.665 -2.543 0.690 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.956 -1.940 1.726 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.729 -1.320 1.468 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 2.502 2.092 1.377 0.00 0.00 +0.074 C BRANCH 22 23 ATOM 23 C LIG 1 3.637 1.131 1.261 0.00 0.00 +0.009 A ATOM 24 C LIG 1 3.782 -0.145 1.869 0.00 0.00 +0.173 A ATOM 25 N LIG 1 4.951 -0.729 1.536 0.00 0.00 -0.159 NA ATOM 26 N LIG 1 5.570 0.160 0.713 0.00 0.00 -0.239 N ATOM 27 C LIG 1 4.811 1.296 0.550 0.00 0.00 +0.119 A BRANCH 26 28 ATOM 28 C LIG 1 6.844 -0.133 0.149 0.00 0.00 +0.065 A ATOM 29 C LIG 1 7.469 -1.354 0.448 0.00 0.00 +0.028 A ATOM 30 C LIG 1 8.719 -1.658 -0.095 0.00 0.00 +0.002 A ATOM 31 C LIG 1 9.354 -0.750 -0.939 0.00 0.00 +0.000 A ATOM 32 C LIG 1 8.740 0.465 -1.241 0.00 0.00 +0.002 A ATOM 33 C LIG 1 7.489 0.777 -0.701 0.00 0.00 +0.028 A ENDBRANCH 26 28 BRANCH 24 34 ATOM 34 C LIG 1 2.865 -0.858 2.767 0.00 0.00 +0.357 C ATOM 35 O LIG 1 1.796 -0.424 3.171 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 O LIG 1 3.346 -2.082 3.124 0.00 0.00 -0.476 OA ATOM 37 H LIG 1 4.215 -2.174 2.664 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 10