REMARK Name = BDB010393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.042 -0.534 -0.848 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.991 0.085 -0.197 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.179 -0.458 -0.685 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.252 -1.234 -1.752 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.570 -1.874 -2.597 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 1.853 -1.673 -2.303 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.373 -0.963 -1.271 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.542 -0.355 -0.403 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.609 -1.259 -1.851 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 2.849 -2.288 -3.211 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.154 -2.039 -3.016 0.00 0.00 -0.269 N ATOM 12 H LIG 1 4.560 -1.458 -2.304 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.827 -2.707 -3.961 0.00 0.00 +0.440 A ATOM 14 O LIG 1 6.039 -2.722 -4.101 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 3.922 -3.375 -4.747 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 2.626 -3.071 -4.217 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 -4.185 -1.426 -0.070 0.00 0.00 +0.107 C ATOM 18 N LIG 1 -3.336 -0.260 -0.509 0.00 0.00 -0.295 N ATOM 19 C LIG 1 -4.075 0.347 -1.657 0.00 0.00 +0.108 C ATOM 20 C LIG 1 -5.145 -0.654 -2.091 0.00 0.00 +0.021 C ATOM 21 C LIG 1 -4.787 -1.946 -1.378 0.00 0.00 +0.027 C BRANCH 17 22 ATOM 22 C LIG 1 -3.562 -2.521 0.872 0.00 0.00 +0.082 C ATOM 23 C LIG 1 -4.694 -3.483 1.297 0.00 0.00 +0.043 C ATOM 24 C LIG 1 -2.981 -1.867 2.139 0.00 0.00 +0.043 C BRANCH 22 26 ATOM 25 C LIG 1 -1.810 -4.228 0.855 0.00 0.00 +0.194 C ATOM 26 O LIG 1 -2.572 -3.266 0.148 0.00 0.00 -0.375 OA ENDBRANCH 22 26 ENDBRANCH 17 22 ENDBRANCH 1 18 BRANCH 8 27 ATOM 27 N LIG 1 2.027 0.341 0.688 0.00 0.00 -0.324 N ATOM 28 H LIG 1 1.396 0.266 1.477 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 3.428 0.331 1.126 0.00 0.00 +0.072 C ATOM 30 C LIG 1 4.388 0.856 0.066 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 3.836 -1.000 1.782 0.00 0.00 +0.009 C ATOM 32 C LIG 1 5.168 -0.992 2.583 0.00 0.00 +0.005 C ATOM 33 C LIG 1 5.822 -1.784 1.440 0.00 0.00 +0.001 C ATOM 34 C LIG 1 4.415 -2.201 0.984 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 -1.156 1.165 0.759 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -1.385 2.554 0.122 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.141 3.112 -0.600 0.00 0.00 +0.005 C ATOM 38 C LIG 1 0.722 3.971 0.318 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.042 5.199 0.846 0.00 0.00 -0.014 C ATOM 40 C LIG 1 0.283 6.452 0.031 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -1.564 4.973 0.883 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.898 3.523 1.209 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9