REMARK Name = BDB010309 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.004 -1.659 -0.519 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.679 -1.593 -0.090 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.188 -2.640 -0.362 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.418 -2.436 0.186 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.346 -1.275 0.793 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.143 -3.737 -1.057 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.415 -3.711 -1.474 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.116 -0.679 0.571 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.333 -2.747 -1.237 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.318 -0.678 1.546 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -3.709 -0.956 1.089 0.00 0.00 +0.106 C ATOM 12 C LIG 1 -4.719 -1.068 2.252 0.00 0.00 +0.027 C ATOM 13 C LIG 1 -4.508 -0.096 3.410 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -3.036 0.150 3.728 0.00 0.00 +0.019 C ATOM 15 C LIG 1 -2.116 -0.819 2.997 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 -4.122 0.079 0.046 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -4.284 1.438 0.353 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -4.670 2.354 -0.629 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -4.886 1.927 -1.937 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -4.711 0.586 -2.265 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.330 -0.330 -1.283 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 2.942 -0.688 -0.240 0.00 0.00 -0.324 N ATOM 23 H LIG 1 2.734 -0.139 0.581 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 4.725 -1.259 -1.919 0.00 0.00 +0.028 C ATOM 25 C LIG 1 4.378 -0.799 -0.504 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 5.190 -1.579 0.545 0.00 0.00 +0.009 C ATOM 27 C LIG 1 4.963 -1.217 2.038 0.00 0.00 +0.005 C ATOM 28 C LIG 1 4.167 -2.525 2.195 0.00 0.00 +0.001 C ATOM 29 C LIG 1 4.870 -3.048 0.930 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 1.906 -4.887 -2.277 0.00 0.00 +0.375 C ATOM 31 O LIG 1 3.034 -5.055 -2.712 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 0.954 -5.821 -2.506 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 1.415 -6.507 -3.030 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 0.234 0.686 0.921 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 0.458 1.617 -0.287 0.00 0.00 +0.009 C ATOM 36 C LIG 1 1.110 2.928 0.178 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.316 3.902 -0.981 0.00 0.00 +0.003 C ATOM 38 C LIG 1 0.005 4.186 -1.723 0.00 0.00 -0.014 C ATOM 39 C LIG 1 0.246 5.120 -2.907 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.650 2.881 -2.188 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.855 1.909 -1.027 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9