REMARK Name = BDB009307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.324 0.585 0.251 0.00 0.00 +0.069 A ATOM 2 C LIG 1 -1.267 1.966 0.469 0.00 0.00 +0.145 A ATOM 3 F LIG 1 -0.371 2.462 1.338 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -2.121 2.844 -0.189 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -3.060 2.341 -1.087 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.142 0.961 -1.328 0.00 0.00 -0.040 A ATOM 7 C LIG 1 -2.259 0.091 -0.662 0.00 0.00 +0.030 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 -1.036 -2.380 0.365 0.00 0.00 -0.272 OA ATOM 9 C LIG 1 -0.314 -1.596 0.974 0.00 0.00 +0.255 C ATOM 10 N LIG 1 -0.421 -0.219 0.973 0.00 0.00 -0.280 N ATOM 11 H LIG 1 0.246 0.283 1.557 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 0.806 -2.108 1.889 0.00 0.00 +0.324 C BRANCH 12 13 ATOM 13 O LIG 1 1.800 -1.145 2.220 0.00 0.00 -0.483 OA BRANCH 13 14 ATOM 14 C LIG 1 2.799 -0.917 1.313 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.805 -0.060 1.764 0.00 0.00 +0.049 A ATOM 16 C LIG 1 4.885 0.279 0.940 0.00 0.00 +0.049 A ATOM 17 C LIG 1 4.961 -0.232 -0.352 0.00 0.00 +0.121 A ATOM 18 C LIG 1 3.958 -1.095 -0.800 0.00 0.00 +0.049 A ATOM 19 C LIG 1 2.877 -1.434 0.022 0.00 0.00 +0.049 A BRANCH 17 20 ATOM 20 O LIG 1 5.957 0.004 -1.258 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 6.853 1.092 -1.010 0.00 0.00 +0.264 C BRANCH 21 22 ATOM 22 C LIG 1 8.040 0.715 -0.151 0.00 0.00 -0.010 A ATOM 23 C LIG 1 8.665 1.691 0.639 0.00 0.00 +0.007 A ATOM 24 C LIG 1 9.779 1.369 1.417 0.00 0.00 +0.000 A ATOM 25 C LIG 1 10.287 0.072 1.404 0.00 0.00 +0.000 A ATOM 26 C LIG 1 9.685 -0.903 0.611 0.00 0.00 +0.000 A ATOM 27 C LIG 1 8.571 -0.582 -0.167 0.00 0.00 +0.007 A ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 28 ATOM 28 C LIG 1 -4.155 0.415 -2.312 0.00 0.00 +0.094 C BRANCH 28 29 ATOM 29 C LIG 1 -5.594 0.722 -1.916 0.00 0.00 +0.087 A ATOM 30 C LIG 1 -6.288 -0.179 -0.931 0.00 0.00 +0.059 A ATOM 31 N LIG 1 -5.642 -1.261 -0.344 0.00 0.00 -0.342 N ATOM 32 H LIG 1 -4.633 -1.154 -0.265 0.00 0.00 +0.146 HD ATOM 33 C LIG 1 -6.238 -1.945 0.799 0.00 0.00 +0.102 C ATOM 34 C LIG 1 -7.741 -2.085 0.575 0.00 0.00 +0.023 C ATOM 35 C LIG 1 -8.387 -0.723 0.286 0.00 0.00 +0.044 C ATOM 36 C LIG 1 -7.570 0.114 -0.659 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -8.217 1.292 -1.276 0.00 0.00 +0.270 A ATOM 38 O LIG 1 -9.381 1.593 -1.030 0.00 0.00 -0.266 OA ATOM 39 N LIG 1 -7.438 2.031 -2.126 0.00 0.00 -0.243 N ATOM 40 H LIG 1 -7.867 2.840 -2.563 0.00 0.00 +0.192 HD ATOM 41 N LIG 1 -6.147 1.765 -2.465 0.00 0.00 -0.174 NA ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 9