REMARK Name = BDB042505 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.888 -0.615 1.112 0.00 0.00 +0.021 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.787 -1.499 0.239 0.00 0.00 +0.054 C BRANCH 2 10 ATOM 3 C LIG 1 -5.817 0.918 -2.268 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -6.308 0.352 -0.962 0.00 0.00 -0.042 A ATOM 5 C LIG 1 -5.459 -0.350 -0.076 0.00 0.00 -0.005 A ATOM 6 C LIG 1 -5.986 -0.854 1.131 0.00 0.00 +0.082 A ATOM 7 C LIG 1 -5.092 -1.592 2.059 0.00 0.00 +0.259 A ATOM 8 N LIG 1 -3.780 -1.727 1.663 0.00 0.00 -0.326 N ATOM 9 H LIG 1 -3.194 -2.240 2.312 0.00 0.00 +0.169 HD ATOM 10 C LIG 1 -3.251 -1.235 0.496 0.00 0.00 +0.020 A ATOM 11 O LIG 1 -5.470 -2.066 3.123 0.00 0.00 -0.267 OA ATOM 12 C LIG 1 -7.330 -0.662 1.447 0.00 0.00 +0.136 A ATOM 13 F LIG 1 -7.860 -1.127 2.586 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -8.166 0.028 0.577 0.00 0.00 +0.039 A ATOM 15 C LIG 1 -4.034 -0.573 -0.370 0.00 0.00 +0.030 A ATOM 16 C LIG 1 -7.660 0.532 -0.620 0.00 0.00 +0.007 A ENDBRANCH 2 10 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 0.607 -0.899 0.905 0.00 0.00 +0.085 C BRANCH 17 18 ATOM 18 N LIG 1 1.061 -0.746 -0.486 0.00 0.00 -0.299 NA ATOM 19 C LIG 1 1.048 0.656 -0.959 0.00 0.00 +0.103 C ATOM 20 C LIG 1 2.130 1.562 -0.341 0.00 0.00 +0.123 C ATOM 21 N LIG 1 3.471 0.979 -0.426 0.00 0.00 -0.295 N ATOM 22 C LIG 1 4.537 1.862 -0.234 0.00 0.00 +0.247 C ATOM 23 O LIG 1 4.393 3.062 -0.016 0.00 0.00 -0.270 OA ATOM 24 C LIG 1 3.551 -0.437 -0.040 0.00 0.00 +0.123 C ATOM 25 C LIG 1 2.428 -1.285 -0.668 0.00 0.00 +0.103 C BRANCH 22 26 ATOM 26 C LIG 1 5.920 1.344 -0.317 0.00 0.00 +0.040 A ATOM 27 C LIG 1 6.344 0.635 -1.444 0.00 0.00 +0.051 A ATOM 28 C LIG 1 7.659 0.191 -1.502 0.00 0.00 +0.124 A ATOM 29 F LIG 1 8.071 -0.501 -2.572 0.00 0.00 -0.205 F ATOM 30 C LIG 1 8.556 0.456 -0.471 0.00 0.00 +0.038 A ATOM 31 C LIG 1 8.137 1.187 0.640 0.00 0.00 +0.004 A ATOM 32 C LIG 1 6.818 1.639 0.715 0.00 0.00 +0.013 A ENDBRANCH 22 26 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 5