REMARK Name = BDB034539 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.716 -0.035 -0.548 0.00 0.00 +0.031 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.357 -0.294 0.827 0.00 0.00 +0.076 C ATOM 3 N LIG 1 -3.838 -0.326 0.675 0.00 0.00 -0.307 N ATOM 4 C LIG 1 -4.342 -1.696 0.945 0.00 0.00 +0.078 C ATOM 5 C LIG 1 -3.105 -2.582 1.134 0.00 0.00 +0.011 C ATOM 6 C LIG 1 -2.895 -3.348 -0.177 0.00 0.00 +0.005 C ATOM 7 C LIG 1 -3.970 -2.860 -1.139 0.00 0.00 +0.002 C ATOM 8 C LIG 1 -5.071 -2.322 -0.241 0.00 0.00 +0.023 C ATOM 9 C LIG 1 -2.003 -1.611 1.515 0.00 0.00 +0.027 C BRANCH 3 10 ATOM 10 C LIG 1 -4.586 0.765 1.126 0.00 0.00 +0.143 A ATOM 11 N LIG 1 -4.065 1.620 1.973 0.00 0.00 -0.156 NA ATOM 12 N LIG 1 -4.829 2.655 2.415 0.00 0.00 -0.241 N ATOM 13 H LIG 1 -4.396 3.283 3.085 0.00 0.00 +0.192 HD ATOM 14 C LIG 1 -6.128 2.909 2.055 0.00 0.00 +0.277 A ATOM 15 O LIG 1 -6.755 3.854 2.519 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -6.709 1.982 1.075 0.00 0.00 +0.124 A ATOM 17 C LIG 1 -5.979 0.954 0.627 0.00 0.00 +0.063 A BRANCH 16 18 ATOM 18 C LIG 1 -8.090 2.295 0.655 0.00 0.00 +0.423 C ATOM 19 F LIG 1 -8.558 1.382 -0.247 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -8.194 3.502 0.042 0.00 0.00 -0.166 F ATOM 21 F LIG 1 -8.975 2.276 1.686 0.00 0.00 -0.166 F ENDBRANCH 16 18 ENDBRANCH 3 10 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 C LIG 1 -0.264 0.456 -0.471 0.00 0.00 +0.098 C BRANCH 22 24 ATOM 23 O LIG 1 0.459 -1.832 -0.626 0.00 0.00 -0.276 OA ATOM 24 C LIG 1 0.780 -0.651 -0.503 0.00 0.00 +0.216 C ATOM 25 N LIG 1 2.113 -0.261 -0.416 0.00 0.00 -0.298 N ATOM 26 C LIG 1 3.115 -1.318 -0.228 0.00 0.00 +0.126 C ATOM 27 C LIG 1 4.507 -0.942 -0.760 0.00 0.00 +0.127 C ATOM 28 N LIG 1 4.918 0.382 -0.263 0.00 0.00 -0.297 N ATOM 29 C LIG 1 3.947 1.453 -0.530 0.00 0.00 +0.127 C ATOM 30 C LIG 1 2.551 1.079 0.002 0.00 0.00 +0.126 C BRANCH 28 31 ATOM 31 C LIG 1 6.232 0.722 -0.599 0.00 0.00 +0.218 A ATOM 32 N LIG 1 6.588 2.019 -0.610 0.00 0.00 -0.222 NA ATOM 33 C LIG 1 7.867 2.326 -0.908 0.00 0.00 +0.128 A ATOM 34 C LIG 1 8.826 1.387 -1.195 0.00 0.00 +0.091 A ATOM 35 C LIG 1 8.380 0.090 -1.174 0.00 0.00 +0.128 A ATOM 36 N LIG 1 7.111 -0.257 -0.878 0.00 0.00 -0.222 NA BRANCH 34 37 ATOM 37 C LIG 1 10.220 1.750 -1.544 0.00 0.00 +0.420 C ATOM 38 F LIG 1 10.644 2.891 -0.933 0.00 0.00 -0.166 F ATOM 39 F LIG 1 11.122 0.789 -1.202 0.00 0.00 -0.166 F ATOM 40 F LIG 1 10.383 1.958 -2.878 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 28 31 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 7