REMARK Name = BDB026048 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.139 0.805 0.010 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.631 2.082 0.289 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.462 3.130 0.397 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.731 2.316 0.485 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.650 1.268 0.407 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.160 -0.031 0.121 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.211 -0.248 -0.074 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.032 1.446 0.629 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.674 2.572 -0.074 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.147 2.730 0.392 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.817 3.822 -0.449 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.271 3.063 1.837 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.580 2.660 2.360 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.177 2.485 2.661 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.212 3.613 3.046 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.432 1.268 2.045 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.285 0.116 -0.554 0.00 0.00 +0.218 A ATOM 18 N LIG 1 4.568 -0.770 0.156 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 3.248 -0.527 0.321 0.00 0.00 +0.124 A ATOM 20 C LIG 1 2.577 0.569 -0.185 0.00 0.00 +0.021 A ATOM 21 C LIG 1 3.408 1.415 -0.893 0.00 0.00 +0.124 A ATOM 22 N LIG 1 4.731 1.214 -1.089 0.00 0.00 -0.222 NA BRANCH 17 29 ATOM 23 C LIG 1 9.108 0.373 -3.586 0.00 0.00 +0.039 C ATOM 24 C LIG 1 8.335 -0.353 -2.493 0.00 0.00 +0.133 C ATOM 25 O LIG 1 9.296 -0.898 -1.576 0.00 0.00 -0.371 OA ATOM 26 C LIG 1 8.734 -1.345 -0.328 0.00 0.00 +0.133 C ATOM 27 C LIG 1 9.321 -0.478 0.783 0.00 0.00 +0.039 C ATOM 28 C LIG 1 7.189 -1.379 -0.284 0.00 0.00 +0.139 C ATOM 29 N LIG 1 6.636 -0.100 -0.718 0.00 0.00 -0.295 N ATOM 30 C LIG 1 7.328 0.595 -1.805 0.00 0.00 +0.139 C ENDBRANCH 17 29 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.132 -1.050 0.025 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.074 -0.704 0.191 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.951 -2.372 -0.299 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.905 -2.936 -0.593 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.235 -3.126 -0.339 0.00 0.00 +0.062 A ATOM 36 C LIG 1 -3.972 -3.536 0.845 0.00 0.00 +0.036 A ATOM 37 C LIG 1 -5.123 -4.216 0.691 0.00 0.00 +0.080 A ATOM 38 C LIG 1 -5.652 -4.552 -0.659 0.00 0.00 +0.252 A ATOM 39 O LIG 1 -6.718 -5.153 -0.742 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.871 -4.142 -1.735 0.00 0.00 -0.318 N ATOM 41 C LIG 1 -5.303 -4.452 -3.090 0.00 0.00 +0.152 C ATOM 42 C LIG 1 -3.685 -3.445 -1.563 0.00 0.00 +0.102 A BRANCH 36 43 ATOM 43 C LIG 1 -3.420 -3.222 2.201 0.00 0.00 +0.372 C ATOM 44 F LIG 1 -2.110 -3.560 2.308 0.00 0.00 -0.204 F ATOM 45 F LIG 1 -3.499 -1.888 2.453 0.00 0.00 -0.204 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 6