REMARK Name = BDB024469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.267 1.559 1.257 0.00 0.00 -0.309 N ATOM 2 H LIG 1 -0.884 2.353 1.152 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 -0.720 0.291 0.964 0.00 0.00 +0.244 C ATOM 4 O LIG 1 -0.100 -0.729 1.239 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -2.050 0.193 0.296 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -2.761 -1.010 0.417 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -4.009 -1.161 -0.193 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -4.557 -0.101 -0.922 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -3.837 1.088 -1.080 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -2.586 1.237 -0.471 0.00 0.00 +0.014 A BRANCH 8 11 ATOM 11 C LIG 1 -5.865 -0.237 -1.607 0.00 0.00 +0.247 C ATOM 12 N LIG 1 -6.919 -0.805 -0.911 0.00 0.00 -0.287 N ATOM 13 C LIG 1 -8.245 -0.864 -1.513 0.00 0.00 +0.102 C ATOM 14 C LIG 1 -8.900 0.533 -1.366 0.00 0.00 +0.182 C ATOM 15 O LIG 1 -9.031 0.910 0.024 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 -7.792 0.748 0.746 0.00 0.00 +0.182 C ATOM 17 C LIG 1 -8.947 -1.886 -0.609 0.00 0.00 +0.027 C ATOM 18 C LIG 1 -8.234 -1.748 0.750 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -7.178 -0.658 0.520 0.00 0.00 +0.102 C ATOM 20 O LIG 1 -5.963 0.158 -2.766 0.00 0.00 -0.270 OA ENDBRANCH 8 11 ENDBRANCH 3 5 BRANCH 1 21 ATOM 21 C LIG 1 0.974 1.799 1.991 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 2.168 2.106 1.068 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 1.728 2.960 -0.002 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 1.051 2.446 -0.477 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 2.847 0.846 0.489 0.00 0.00 +0.117 C BRANCH 25 36 ATOM 26 C LIG 1 7.739 1.723 1.295 0.00 0.00 +0.149 C ATOM 27 N LIG 1 7.146 0.625 0.564 0.00 0.00 -0.345 N ATOM 28 C LIG 1 7.763 -0.057 -0.472 0.00 0.00 +0.049 A ATOM 29 C LIG 1 6.877 -1.054 -0.899 0.00 0.00 +0.003 A ATOM 30 C LIG 1 7.262 -1.906 -1.954 0.00 0.00 +0.010 A ATOM 31 C LIG 1 8.514 -1.740 -2.553 0.00 0.00 +0.001 A ATOM 32 C LIG 1 9.380 -0.741 -2.118 0.00 0.00 +0.002 A ATOM 33 C LIG 1 5.711 -0.942 -0.100 0.00 0.00 -0.016 A ATOM 34 C LIG 1 4.437 -1.715 -0.121 0.00 0.00 +0.053 C ATOM 35 C LIG 1 3.595 -1.390 1.139 0.00 0.00 +0.089 C ATOM 36 N LIG 1 3.540 0.048 1.517 0.00 0.00 -0.294 NA ATOM 37 C LIG 1 4.902 0.563 1.800 0.00 0.00 +0.138 C ATOM 38 C LIG 1 9.021 0.117 -1.073 0.00 0.00 +0.026 A ATOM 39 C LIG 1 5.895 0.107 0.779 0.00 0.00 +0.037 A ENDBRANCH 25 36 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7