REMARK Name = BDB042882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.239 -2.256 -0.464 0.00 0.00 +0.096 A ATOM 2 C LIG 1 -3.193 -1.749 -1.363 0.00 0.00 +0.261 A ATOM 3 N LIG 1 -4.179 -2.514 -1.894 0.00 0.00 -0.109 NA ATOM 4 N LIG 1 -4.314 -3.813 -1.515 0.00 0.00 -0.154 NA ATOM 5 C LIG 1 -3.449 -4.322 -0.620 0.00 0.00 +0.137 A ATOM 6 C LIG 1 -2.405 -3.590 -0.086 0.00 0.00 +0.050 A ENDROOT BRANCH 1 11 ATOM 7 N LIG 1 2.754 -0.332 -0.806 0.00 0.00 -0.298 NA ATOM 8 C LIG 1 2.634 -1.723 -0.322 0.00 0.00 +0.094 C ATOM 9 C LIG 1 1.197 -1.365 0.139 0.00 0.00 +0.013 C ATOM 10 C LIG 1 0.057 -1.611 -0.847 0.00 0.00 +0.114 C ATOM 11 N LIG 1 -1.154 -1.498 -0.012 0.00 0.00 -0.325 N ATOM 12 C LIG 1 -0.801 -1.539 1.416 0.00 0.00 +0.106 C ATOM 13 C LIG 1 0.678 -1.924 1.454 0.00 0.00 +0.030 C ATOM 14 C LIG 1 1.728 0.099 0.166 0.00 0.00 +0.094 C BRANCH 7 15 ATOM 15 C LIG 1 4.112 0.245 -0.663 0.00 0.00 +0.059 C BRANCH 15 17 ATOM 16 C LIG 1 5.531 1.751 -2.222 0.00 0.00 +0.009 C ATOM 17 C LIG 1 4.153 1.502 -1.599 0.00 0.00 -0.000 C ATOM 18 C LIG 1 3.627 2.790 -0.959 0.00 0.00 +0.009 C ENDBRANCH 15 17 BRANCH 15 19 ATOM 19 C LIG 1 4.605 0.474 0.793 0.00 0.00 +0.020 C BRANCH 19 20 ATOM 20 C LIG 1 6.086 0.824 0.998 0.00 0.00 +0.017 C BRANCH 20 21 ATOM 21 C LIG 1 7.050 -0.245 0.463 0.00 0.00 +0.084 C BRANCH 21 22 ATOM 22 N LIG 1 8.481 -0.019 0.709 0.00 0.00 -0.308 NA ATOM 23 C LIG 1 8.986 1.191 0.070 0.00 0.00 +0.104 C ATOM 24 C LIG 1 8.831 -0.054 2.125 0.00 0.00 +0.104 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 O LIG 1 -3.175 -0.466 -1.864 0.00 0.00 -0.435 OA BRANCH 25 26 ATOM 26 C LIG 1 -2.963 0.586 -1.004 0.00 0.00 +0.143 A ATOM 27 C LIG 1 -3.674 0.840 0.177 0.00 0.00 +0.082 A ATOM 28 C LIG 1 -3.312 1.925 0.992 0.00 0.00 +0.055 A ATOM 29 C LIG 1 -2.309 2.789 0.578 0.00 0.00 +0.124 A ATOM 30 F LIG 1 -1.974 3.831 1.351 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -1.649 2.595 -0.629 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -1.980 1.496 -1.423 0.00 0.00 +0.050 A BRANCH 27 33 ATOM 33 C LIG 1 -4.727 -0.035 0.709 0.00 0.00 +0.251 C ATOM 34 N LIG 1 -6.064 0.100 0.299 0.00 0.00 -0.292 N ATOM 35 O LIG 1 -4.352 -0.807 1.592 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -6.601 1.047 -0.714 0.00 0.00 +0.070 C ATOM 37 C LIG 1 -6.303 0.627 -2.151 0.00 0.00 +0.028 C ATOM 38 C LIG 1 -6.266 2.517 -0.465 0.00 0.00 +0.028 C ENDBRANCH 34 36 BRANCH 34 39 ATOM 39 C LIG 1 -7.058 -0.825 0.902 0.00 0.00 +0.070 C ATOM 40 C LIG 1 -7.248 -0.576 2.401 0.00 0.00 +0.028 C ATOM 41 C LIG 1 -6.777 -2.298 0.600 0.00 0.00 +0.028 C ENDBRANCH 34 39 ENDBRANCH 27 33 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 12