REMARK Name = BDB010720 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.573 -0.884 -0.326 0.00 0.00 -0.314 N ATOM 2 C LIG 1 0.038 -1.805 0.560 0.00 0.00 +0.129 A ATOM 3 C LIG 1 1.112 -2.142 1.369 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.065 -3.033 2.368 0.00 0.00 -0.200 NA ATOM 5 C LIG 1 -0.138 -3.592 2.485 0.00 0.00 +0.242 A ATOM 6 N LIG 1 -1.256 -3.334 1.754 0.00 0.00 -0.205 NA ATOM 7 N LIG 1 2.233 -1.451 1.039 0.00 0.00 -0.206 NA ATOM 8 C LIG 1 -1.207 -2.405 0.777 0.00 0.00 +0.149 A ATOM 9 C LIG 1 1.921 -0.722 -0.020 0.00 0.00 +0.162 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 2.883 0.143 -0.718 0.00 0.00 +0.107 A ATOM 11 N LIG 1 2.727 0.276 -2.056 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 3.636 1.036 -2.703 0.00 0.00 +0.112 A ATOM 13 C LIG 1 4.697 1.677 -2.082 0.00 0.00 +0.023 A ATOM 14 C LIG 1 4.858 1.531 -0.703 0.00 0.00 -0.041 A ATOM 15 C LIG 1 3.930 0.738 -0.017 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 6.014 2.208 0.009 0.00 0.00 +0.013 C ATOM 17 C LIG 1 5.520 3.210 1.055 0.00 0.00 +0.012 C ATOM 18 C LIG 1 6.963 1.185 0.638 0.00 0.00 +0.012 C ENDBRANCH 14 16 ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 -0.330 -4.627 3.562 0.00 0.00 +0.375 C ATOM 20 O LIG 1 0.512 -5.019 4.351 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 -1.613 -5.090 3.554 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 -2.110 -4.637 2.834 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 5 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.342 -2.094 0.053 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -2.398 -1.111 -0.181 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.664 -2.673 0.309 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.204 -2.284 1.683 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -3.719 -4.184 0.092 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -3.370 -4.691 -1.336 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -4.461 -5.763 -1.145 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -5.128 -4.802 -0.141 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 1 31 ATOM 31 C LIG 1 -0.139 -0.182 -1.388 0.00 0.00 +0.154 C BRANCH 31 35 ATOM 32 C LIG 1 -0.552 4.010 -0.137 0.00 0.00 -0.007 C ATOM 33 C LIG 1 -1.629 3.030 0.342 0.00 0.00 +0.008 C ATOM 34 C LIG 1 -1.138 1.581 0.234 0.00 0.00 +0.032 C ATOM 35 C LIG 1 -0.415 1.273 -1.058 0.00 0.00 -0.054 C ATOM 36 C LIG 1 -0.023 2.260 -1.888 0.00 0.00 -0.026 C ATOM 37 C LIG 1 -0.206 3.724 -1.608 0.00 0.00 +0.030 C BRANCH 32 39 ATOM 38 C LIG 1 -2.214 5.961 -0.536 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -0.921 5.484 0.111 0.00 0.00 +0.000 C ENDBRANCH 32 39 ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 10