REMARK Name = BDB058328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.158 0.749 -1.806 0.00 0.00 +0.077 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.413 0.277 -1.112 0.00 0.00 +0.139 A ATOM 3 N LIG 1 -4.677 0.600 -1.464 0.00 0.00 -0.244 N ATOM 4 C LIG 1 -5.489 0.117 -0.442 0.00 0.00 +0.356 A ATOM 5 O LIG 1 -6.705 0.222 -0.354 0.00 0.00 -0.244 OA ATOM 6 N LIG 1 -4.606 -0.531 0.444 0.00 0.00 -0.180 N ATOM 7 N LIG 1 -3.315 -0.399 -0.002 0.00 0.00 -0.148 NA BRANCH 3 8 ATOM 8 C LIG 1 -5.163 1.281 -2.601 0.00 0.00 +0.088 A ATOM 9 C LIG 1 -4.679 1.023 -3.889 0.00 0.00 +0.147 A ATOM 10 F LIG 1 -3.812 0.025 -4.106 0.00 0.00 -0.203 F ATOM 11 C LIG 1 -5.156 1.715 -5.002 0.00 0.00 +0.040 A ATOM 12 C LIG 1 -6.151 2.676 -4.847 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -6.676 2.925 -3.582 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -6.194 2.225 -2.469 0.00 0.00 +0.029 A ENDBRANCH 3 8 BRANCH 6 15 ATOM 15 C LIG 1 -4.872 -1.213 1.651 0.00 0.00 +0.071 A ATOM 16 C LIG 1 -3.816 -1.767 2.391 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -4.051 -2.448 3.591 0.00 0.00 +0.014 A ATOM 18 C LIG 1 -5.353 -2.588 4.086 0.00 0.00 +0.055 A ATOM 19 C LIG 1 -6.412 -2.046 3.345 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -6.172 -1.365 2.145 0.00 0.00 +0.028 A BRANCH 18 21 ATOM 21 C LIG 1 -5.615 -3.341 5.367 0.00 0.00 +0.417 C ATOM 22 F LIG 1 -6.706 -2.883 6.042 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -4.579 -3.275 6.250 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -5.838 -4.667 5.152 0.00 0.00 -0.166 F ENDBRANCH 18 21 ENDBRANCH 6 15 ENDBRANCH 1 2 BRANCH 1 25 ATOM 25 C LIG 1 -1.936 2.245 -1.571 0.00 0.00 +0.012 C BRANCH 25 26 ATOM 26 C LIG 1 -0.722 2.795 -2.326 0.00 0.00 +0.035 C BRANCH 26 30 ATOM 27 C LIG 1 3.053 1.140 -0.961 0.00 0.00 -0.018 A ATOM 28 C LIG 1 2.330 2.044 -0.168 0.00 0.00 +0.009 A ATOM 29 C LIG 1 1.117 2.581 -0.608 0.00 0.00 +0.004 A ATOM 30 C LIG 1 0.594 2.227 -1.856 0.00 0.00 -0.047 A ATOM 31 C LIG 1 1.308 1.330 -2.657 0.00 0.00 +0.004 A ATOM 32 C LIG 1 2.521 0.793 -2.213 0.00 0.00 +0.009 A BRANCH 27 36 ATOM 33 C LIG 1 6.781 -0.520 0.414 0.00 0.00 +0.124 A ATOM 34 C LIG 1 5.732 -1.370 0.022 0.00 0.00 +0.005 A ATOM 35 C LIG 1 4.517 -0.816 -0.424 0.00 0.00 +0.016 A ATOM 36 C LIG 1 4.327 0.572 -0.495 0.00 0.00 -0.017 A ATOM 37 C LIG 1 5.388 1.399 -0.103 0.00 0.00 +0.012 A ATOM 38 C LIG 1 6.601 0.862 0.345 0.00 0.00 +0.046 A BRANCH 33 39 ATOM 39 O LIG 1 7.922 -1.150 0.832 0.00 0.00 -0.492 OA BRANCH 39 41 ATOM 40 C LIG 1 8.663 -0.099 2.896 0.00 0.00 +0.048 C ATOM 41 C LIG 1 8.965 -0.387 1.436 0.00 0.00 +0.225 C ENDBRANCH 39 41 ENDBRANCH 33 39 BRANCH 34 42 ATOM 42 C LIG 1 5.882 -2.874 0.101 0.00 0.00 +0.159 C BRANCH 42 43 ATOM 43 C LIG 1 5.848 -3.411 1.511 0.00 0.00 +0.309 C ATOM 44 O LIG 1 5.466 -2.855 2.527 0.00 0.00 -0.251 OA BRANCH 43 45 ATOM 45 O LIG 1 6.261 -4.697 1.568 0.00 0.00 -0.480 OA ATOM 46 H LIG 1 6.181 -4.917 2.520 0.00 0.00 +0.295 HD ENDBRANCH 43 45 ENDBRANCH 42 43 ENDBRANCH 34 42 ENDBRANCH 27 36 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 13