REMARK Name = BDB020077 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.279 -1.801 0.082 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.064 -3.119 -0.338 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.974 -3.431 -1.228 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -1.795 -2.386 -1.689 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.623 -1.060 -1.254 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.571 -0.783 -0.368 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.191 -4.819 -1.675 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -2.387 -5.521 -1.404 0.00 0.00 +0.137 A ATOM 9 C LIG 1 -2.545 -6.848 -1.814 0.00 0.00 +0.084 A ATOM 10 C LIG 1 -1.528 -7.466 -2.533 0.00 0.00 +0.127 A ATOM 11 F LIG 1 -1.685 -8.736 -2.930 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -0.353 -6.795 -2.836 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -0.183 -5.479 -2.404 0.00 0.00 +0.015 A BRANCH 8 14 ATOM 14 O LIG 1 -3.347 -4.897 -0.646 0.00 0.00 -0.434 OA BRANCH 14 15 ATOM 15 C LIG 1 -4.622 -4.871 -1.273 0.00 0.00 +0.541 C ATOM 16 F LIG 1 -4.511 -4.299 -2.499 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -5.415 -4.050 -0.539 0.00 0.00 -0.166 F ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 1.904 -0.241 1.007 0.00 0.00 -0.304 N ATOM 19 H LIG 1 1.665 0.361 0.236 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 1.404 -1.524 1.021 0.00 0.00 +0.245 C ATOM 21 O LIG 1 1.852 -2.422 1.726 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 3.051 0.144 1.806 0.00 0.00 +0.107 C BRANCH 22 29 ATOM 23 C LIG 1 2.047 5.072 0.969 0.00 0.00 +0.047 C ATOM 24 C LIG 1 2.465 3.963 1.884 0.00 0.00 -0.015 A ATOM 25 C LIG 1 2.856 4.239 3.194 0.00 0.00 +0.126 A ATOM 26 F LIG 1 2.824 5.499 3.650 0.00 0.00 -0.205 F ATOM 27 C LIG 1 3.284 3.228 4.045 0.00 0.00 +0.039 A ATOM 28 C LIG 1 3.336 1.912 3.584 0.00 0.00 +0.008 A ATOM 29 C LIG 1 2.958 1.593 2.267 0.00 0.00 -0.027 A ATOM 30 C LIG 1 2.527 2.638 1.426 0.00 0.00 +0.011 A ENDBRANCH 22 29 BRANCH 22 31 ATOM 31 C LIG 1 4.312 -0.199 1.045 0.00 0.00 +0.014 C ATOM 32 C LIG 1 4.710 0.478 -0.249 0.00 0.00 +0.006 C ATOM 33 C LIG 1 5.550 0.671 0.985 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 34 ATOM 34 C LIG 1 -2.537 0.022 -1.800 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 N LIG 1 -2.738 1.125 -0.881 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -1.961 2.295 -0.816 0.00 0.00 +0.204 A ATOM 37 N LIG 1 -0.946 2.634 -1.532 0.00 0.00 -0.268 NA ATOM 38 H LIG 1 -0.773 1.924 -2.241 0.00 0.00 +0.190 HD ATOM 39 N LIG 1 -2.513 2.997 0.262 0.00 0.00 -0.314 N ATOM 40 C LIG 1 -3.485 2.241 0.888 0.00 0.00 +0.107 A ATOM 41 C LIG 1 -3.640 1.111 0.184 0.00 0.00 +0.107 A BRANCH 39 42 ATOM 42 C LIG 1 -1.845 4.118 0.904 0.00 0.00 +0.090 C ATOM 43 C LIG 1 -1.806 5.474 0.251 0.00 0.00 +0.027 C ATOM 44 C LIG 1 -2.607 5.272 1.502 0.00 0.00 +0.027 C ENDBRANCH 39 42 ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 10