REMARK Name = BDB021591 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.997 -1.169 -0.014 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -3.022 -1.403 0.958 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -1.656 -1.191 0.691 0.00 0.00 +0.133 A ATOM 4 O LIG 1 -0.897 -1.456 1.793 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 0.498 -1.205 1.751 0.00 0.00 +0.248 C ATOM 6 C LIG 1 1.168 -1.984 0.634 0.00 0.00 +0.149 C ATOM 7 N LIG 1 1.214 -1.189 -0.584 0.00 0.00 -0.292 N ATOM 8 C LIG 1 0.119 -0.494 -1.075 0.00 0.00 +0.250 C ATOM 9 O LIG 1 0.266 0.359 -1.954 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.265 -0.765 -0.586 0.00 0.00 +0.078 A ATOM 11 C LIG 1 -2.267 -0.552 -1.562 0.00 0.00 +0.017 A ATOM 12 C LIG 1 -3.620 -0.759 -1.288 0.00 0.00 +0.014 A ENDROOT BRANCH 1 14 ATOM 13 O LIG 1 -5.688 -2.521 0.818 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -5.416 -1.435 0.311 0.00 0.00 +0.247 C ATOM 15 N LIG 1 -6.376 -0.464 -0.004 0.00 0.00 -0.298 N ATOM 16 C LIG 1 -7.764 -0.822 0.275 0.00 0.00 +0.108 C ATOM 17 C LIG 1 -8.738 -0.019 -0.579 0.00 0.00 +0.031 C ATOM 18 C LIG 1 -8.481 1.487 -0.450 0.00 0.00 +0.096 C ATOM 19 C LIG 1 -7.015 1.794 -0.782 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -6.070 0.966 0.080 0.00 0.00 +0.108 C BRANCH 18 21 ATOM 21 C LIG 1 -9.417 2.276 -1.347 0.00 0.00 +0.393 C ATOM 22 F LIG 1 -9.241 1.969 -2.649 0.00 0.00 -0.170 F ATOM 23 F LIG 1 -9.212 3.605 -1.204 0.00 0.00 -0.170 F ATOM 24 F LIG 1 -10.708 2.030 -1.034 0.00 0.00 -0.170 F ENDBRANCH 18 21 ENDBRANCH 1 14 BRANCH 7 25 ATOM 25 C LIG 1 2.534 -0.979 -1.207 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 3.238 0.289 -0.677 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 2.681 1.473 -1.270 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 1.770 1.260 -1.568 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 4.750 0.278 -0.992 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 5.490 -0.849 -0.389 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 5.710 -0.679 1.061 0.00 0.00 +0.120 C ATOM 32 C LIG 1 6.803 0.297 1.441 0.00 0.00 -0.030 A ATOM 33 C LIG 1 7.824 0.630 0.532 0.00 0.00 -0.042 A ATOM 34 C LIG 1 8.844 1.509 0.921 0.00 0.00 +0.004 A ATOM 35 C LIG 1 8.865 2.036 2.212 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.867 1.694 3.121 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.787 0.098 -0.878 0.00 0.00 +0.051 C ATOM 38 C LIG 1 6.843 0.826 2.740 0.00 0.00 +0.005 A ATOM 39 C LIG 1 6.793 -1.061 -1.046 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 7