REMARK Name = BDB040256 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.264 1.146 -0.358 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -2.689 0.955 -1.639 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -1.294 0.903 -1.826 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.491 1.053 -0.699 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.998 1.043 -0.580 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.232 1.254 0.841 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.026 1.374 1.542 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.200 1.549 2.724 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.056 1.245 0.555 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.422 1.294 0.757 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.543 1.339 1.389 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.676 1.170 0.569 0.00 0.00 +0.027 A ATOM 13 C LIG 1 5.007 1.256 1.047 0.00 0.00 -0.036 A ATOM 14 C LIG 1 5.155 1.502 2.424 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.053 1.670 3.260 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.760 1.590 2.744 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 6.307 1.033 0.061 0.00 0.00 +0.045 C ATOM 18 C LIG 1 6.191 1.645 -1.383 0.00 0.00 +0.090 C ATOM 19 C LIG 1 6.869 2.924 -0.855 0.00 0.00 +0.251 C ATOM 20 F LIG 1 6.020 3.902 -0.464 0.00 0.00 -0.206 F ATOM 21 F LIG 1 7.761 3.502 -1.688 0.00 0.00 -0.206 F ATOM 22 C LIG 1 7.467 2.078 0.287 0.00 0.00 +0.090 C BRANCH 17 23 ATOM 23 C LIG 1 6.667 -0.468 0.117 0.00 0.00 +0.244 C ATOM 24 F LIG 1 5.537 -1.156 -0.243 0.00 0.00 -0.236 F BRANCH 23 25 ATOM 25 C LIG 1 7.802 -0.958 -0.717 0.00 0.00 +0.168 A ATOM 26 N LIG 1 7.970 -2.270 -1.089 0.00 0.00 -0.318 N ATOM 27 C LIG 1 7.135 -3.395 -0.754 0.00 0.00 +0.151 C ATOM 28 C LIG 1 9.105 -2.316 -1.835 0.00 0.00 +0.224 A ATOM 29 N LIG 1 9.623 -1.114 -1.914 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 8.809 -0.264 -1.210 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 -0.685 0.688 -3.185 0.00 0.00 +0.418 C ATOM 32 F LIG 1 0.134 1.711 -3.551 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.082 -0.435 -3.233 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -1.601 0.561 -4.183 0.00 0.00 -0.166 F ENDBRANCH 3 31 BRANCH 1 35 ATOM 35 C LIG 1 -4.788 1.186 -0.200 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -5.169 2.637 0.151 0.00 0.00 +0.029 C BRANCH 35 38 ATOM 37 C LIG 1 -4.998 -1.230 0.339 0.00 0.00 +0.074 C ATOM 38 N LIG 1 -5.255 0.181 0.788 0.00 0.00 -0.290 NA ATOM 39 C LIG 1 -6.686 0.312 1.148 0.00 0.00 +0.100 C ATOM 40 C LIG 1 -7.674 -0.153 0.057 0.00 0.00 +0.099 C ATOM 41 N LIG 1 -7.411 -1.537 -0.376 0.00 0.00 -0.303 NA ATOM 42 C LIG 1 -8.308 -1.925 -1.461 0.00 0.00 +0.105 C ATOM 43 C LIG 1 -6.001 -1.677 -0.776 0.00 0.00 +0.103 C BRANCH 37 45 ATOM 44 C LIG 1 -4.592 -3.640 1.154 0.00 0.00 +0.009 C ATOM 45 C LIG 1 -4.967 -2.208 1.565 0.00 0.00 +0.001 C ATOM 46 C LIG 1 -3.970 -1.736 2.634 0.00 0.00 +0.009 C ENDBRANCH 37 45 ENDBRANCH 35 38 ENDBRANCH 1 35 TORSDOF 8