REMARK Name = BDB040287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.039 1.085 -0.682 0.00 0.00 -0.032 A ATOM 2 C LIG 1 4.499 -0.212 -0.347 0.00 0.00 +0.017 A ATOM 3 C LIG 1 3.645 -1.188 0.205 0.00 0.00 +0.061 A ATOM 4 C LIG 1 2.318 -0.826 0.420 0.00 0.00 -0.006 A ATOM 5 C LIG 1 1.189 -1.627 0.983 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.072 -0.690 0.983 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.449 0.548 0.452 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.188 1.568 0.264 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.871 0.449 0.103 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.696 1.416 -0.443 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.204 -1.038 1.505 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.235 -0.092 1.635 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.510 -0.395 2.173 0.00 0.00 -0.036 A ATOM 14 C LIG 1 -3.720 -1.733 2.551 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -2.720 -2.696 2.430 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.471 -2.349 1.919 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -4.667 0.739 2.323 0.00 0.00 +0.045 C ATOM 18 C LIG 1 -4.204 2.121 2.909 0.00 0.00 +0.090 C ATOM 19 C LIG 1 -4.636 1.627 4.303 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -3.664 1.047 5.043 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -5.226 2.552 5.091 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -5.594 0.655 3.589 0.00 0.00 +0.090 C BRANCH 17 23 ATOM 23 C LIG 1 -5.445 0.911 1.003 0.00 0.00 +0.244 C ATOM 24 F LIG 1 -4.583 1.404 0.066 0.00 0.00 -0.236 F BRANCH 23 25 ATOM 25 C LIG 1 -6.099 -0.349 0.549 0.00 0.00 +0.168 A ATOM 26 N LIG 1 -5.739 -1.090 -0.547 0.00 0.00 -0.318 N ATOM 27 C LIG 1 -4.715 -0.802 -1.515 0.00 0.00 +0.151 C ATOM 28 C LIG 1 -6.567 -2.170 -0.562 0.00 0.00 +0.224 A ATOM 29 N LIG 1 -7.398 -2.100 0.451 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -7.109 -0.953 1.148 0.00 0.00 -0.132 NA ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 31 ATOM 31 C LIG 1 4.137 -2.568 0.548 0.00 0.00 +0.418 C ATOM 32 F LIG 1 5.459 -2.761 0.293 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.957 -2.866 1.863 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.472 -3.534 -0.145 0.00 0.00 -0.166 F ENDBRANCH 3 31 BRANCH 1 35 ATOM 35 C LIG 1 4.983 2.114 -1.279 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 N LIG 1 5.106 2.126 -2.749 0.00 0.00 -0.299 NA ATOM 37 C LIG 1 3.837 2.474 -3.390 0.00 0.00 +0.105 C BRANCH 36 39 ATOM 38 C LIG 1 5.833 1.005 -4.880 0.00 0.00 +0.024 C ATOM 39 C LIG 1 5.775 0.949 -3.342 0.00 0.00 +0.051 C ATOM 40 C LIG 1 7.222 0.816 -2.839 0.00 0.00 +0.024 C ENDBRANCH 36 39 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 8