REMARK Name = BDB032128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.175 -0.434 1.414 0.00 0.00 +0.052 A ATOM 2 C LIG 1 0.485 0.213 0.373 0.00 0.00 +0.136 A ATOM 3 N LIG 1 1.824 0.178 0.166 0.00 0.00 -0.238 NA ATOM 4 C LIG 1 2.565 -0.538 1.037 0.00 0.00 +0.125 A ATOM 5 C LIG 1 1.999 -1.218 2.106 0.00 0.00 +0.045 A ATOM 6 C LIG 1 0.613 -1.165 2.293 0.00 0.00 +0.028 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.411 -0.826 2.479 0.00 0.00 +0.222 C ATOM 8 N LIG 1 -1.575 -0.314 1.504 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -2.029 0.264 0.796 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -2.072 -1.494 3.451 0.00 0.00 -0.275 OA BRANCH 7 15 ATOM 11 C LIG 1 -5.417 -0.626 0.206 0.00 0.00 +0.088 C ATOM 12 C LIG 1 -4.796 0.702 -0.312 0.00 0.00 +0.107 C ATOM 13 N LIG 1 -3.816 1.324 0.611 0.00 0.00 -0.292 NA ATOM 14 C LIG 1 -4.114 0.981 2.011 0.00 0.00 +0.097 C ATOM 15 C LIG 1 -3.889 -0.528 2.227 0.00 0.00 +0.091 C ATOM 16 C LIG 1 -4.412 -1.393 1.065 0.00 0.00 +0.037 C BRANCH 11 18 ATOM 17 C LIG 1 -7.029 -1.110 -1.592 0.00 0.00 +0.237 C ATOM 18 N LIG 1 -5.908 -1.456 -0.884 0.00 0.00 -0.308 N ATOM 19 H LIG 1 -5.431 -2.321 -1.098 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 -7.712 -0.122 -1.352 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 -6.593 -2.837 -3.364 0.00 0.00 +0.013 C ATOM 22 C LIG 1 -7.424 -2.044 -2.675 0.00 0.00 +0.059 C ENDBRANCH 17 22 ENDBRANCH 11 18 BRANCH 13 23 ATOM 23 C LIG 1 -3.749 2.801 0.411 0.00 0.00 +0.198 C BRANCH 23 24 ATOM 24 C LIG 1 -3.267 3.307 -0.965 0.00 0.00 +0.402 C ATOM 25 F LIG 1 -2.071 2.762 -1.289 0.00 0.00 -0.169 F ATOM 26 F LIG 1 -4.142 3.007 -1.948 0.00 0.00 -0.169 F ATOM 27 F LIG 1 -3.113 4.650 -0.949 0.00 0.00 -0.169 F ENDBRANCH 23 24 ENDBRANCH 13 23 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 4 28 ATOM 28 N LIG 1 3.926 -0.524 0.758 0.00 0.00 -0.265 N ATOM 29 H LIG 1 4.178 0.023 -0.059 0.00 0.00 +0.157 HD ATOM 30 C LIG 1 4.958 -1.138 1.427 0.00 0.00 +0.268 C ATOM 31 O LIG 1 4.875 -1.839 2.428 0.00 0.00 -0.268 OA BRANCH 30 32 ATOM 32 C LIG 1 6.296 -0.872 0.803 0.00 0.00 +0.126 A ATOM 33 N LIG 1 6.290 -0.083 -0.307 0.00 0.00 -0.241 NA ATOM 34 C LIG 1 7.483 0.172 -0.890 0.00 0.00 +0.089 A ATOM 35 C LIG 1 8.682 -0.336 -0.398 0.00 0.00 +0.030 A ATOM 36 C LIG 1 8.659 -1.142 0.741 0.00 0.00 +0.004 A ATOM 37 C LIG 1 7.444 -1.419 1.357 0.00 0.00 +0.033 A BRANCH 34 38 ATOM 38 C LIG 1 7.386 1.023 -2.070 0.00 0.00 +0.084 A ATOM 39 N LIG 1 8.446 1.401 -2.856 0.00 0.00 -0.275 N ATOM 40 H LIG 1 9.424 1.159 -2.748 0.00 0.00 +0.189 HD ATOM 41 N LIG 1 8.115 2.189 -3.892 0.00 0.00 -0.182 NA ATOM 42 C LIG 1 6.794 2.324 -3.772 0.00 0.00 +0.135 A ATOM 43 C LIG 1 6.290 1.624 -2.664 0.00 0.00 +0.050 A ENDBRANCH 34 38 ENDBRANCH 30 32 ENDBRANCH 4 28 TORSDOF 9