REMARK Name = BDB020064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.472 -1.049 -1.778 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.959 -2.034 -0.909 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.284 -1.989 -0.450 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -3.112 -0.945 -0.896 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.642 0.044 -1.776 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.313 -0.020 -2.215 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.796 -3.013 0.475 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -3.165 -2.708 1.804 0.00 0.00 +0.137 A ATOM 9 C LIG 1 -3.614 -3.711 2.669 0.00 0.00 +0.084 A ATOM 10 C LIG 1 -3.738 -5.012 2.198 0.00 0.00 +0.127 A ATOM 11 F LIG 1 -4.173 -5.970 3.026 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -3.408 -5.337 0.889 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.934 -4.342 0.033 0.00 0.00 +0.015 A BRANCH 8 14 ATOM 14 O LIG 1 -2.981 -1.424 2.253 0.00 0.00 -0.434 OA BRANCH 14 15 ATOM 15 C LIG 1 -4.182 -0.833 2.732 0.00 0.00 +0.541 C ATOM 16 F LIG 1 -3.927 0.481 2.951 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -5.131 -0.883 1.763 0.00 0.00 -0.166 F ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 1.872 -1.534 -1.382 0.00 0.00 -0.307 N ATOM 19 H LIG 1 1.615 -1.643 -0.411 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 0.928 -1.079 -2.274 0.00 0.00 +0.244 C ATOM 21 O LIG 1 1.182 -0.694 -3.409 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 3.285 -1.493 -1.686 0.00 0.00 +0.140 C BRANCH 22 27 ATOM 23 C LIG 1 4.541 1.673 0.025 0.00 0.00 +0.124 A ATOM 24 C LIG 1 5.288 1.137 1.073 0.00 0.00 +0.091 A ATOM 25 C LIG 1 5.400 -0.250 1.236 0.00 0.00 +0.124 A ATOM 26 C LIG 1 4.755 -1.105 0.340 0.00 0.00 +0.051 A ATOM 27 C LIG 1 4.005 -0.582 -0.724 0.00 0.00 -0.023 A ATOM 28 C LIG 1 3.901 0.809 -0.867 0.00 0.00 +0.051 A BRANCH 23 30 ATOM 29 C LIG 1 5.002 3.925 0.633 0.00 0.00 +0.277 C ATOM 30 O LIG 1 4.356 3.003 -0.235 0.00 0.00 -0.495 OA ENDBRANCH 23 30 BRANCH 25 31 ATOM 31 O LIG 1 6.159 -0.636 2.308 0.00 0.00 -0.495 OA ATOM 32 C LIG 1 6.368 -2.031 2.483 0.00 0.00 +0.277 C ENDBRANCH 25 31 ENDBRANCH 22 27 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 33 ATOM 33 C LIG 1 -3.544 1.181 -2.203 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 -3.267 2.380 -1.441 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -2.488 3.462 -1.874 0.00 0.00 +0.204 A ATOM 36 N LIG 1 -1.911 3.668 -3.003 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 -2.087 2.890 -3.634 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 -2.452 4.320 -0.770 0.00 0.00 -0.320 N ATOM 39 C LIG 1 -1.621 5.497 -0.720 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -3.127 3.751 0.296 0.00 0.00 +0.106 A ATOM 41 C LIG 1 -3.632 2.579 -0.111 0.00 0.00 +0.107 A ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 10