REMARK Name = BDB042000 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.504 2.310 0.139 0.00 0.00 +0.122 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.778 1.763 -0.464 0.00 0.00 +0.002 A ATOM 3 C LIG 1 2.671 1.025 0.329 0.00 0.00 +0.133 A ATOM 4 F LIG 1 2.429 0.830 1.632 0.00 0.00 -0.205 F ATOM 5 C LIG 1 3.819 0.513 -0.234 0.00 0.00 +0.017 A ATOM 6 C LIG 1 4.903 -0.290 0.393 0.00 0.00 +0.147 C ATOM 7 N LIG 1 5.801 -0.526 -0.735 0.00 0.00 -0.282 N ATOM 8 C LIG 1 5.370 0.099 -1.894 0.00 0.00 +0.248 C ATOM 9 O LIG 1 5.938 0.163 -2.966 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 4.086 0.733 -1.580 0.00 0.00 +0.044 A ATOM 11 C LIG 1 3.243 1.457 -2.402 0.00 0.00 +0.014 A ATOM 12 C LIG 1 2.076 1.973 -1.833 0.00 0.00 +0.008 A BRANCH 7 13 ATOM 13 C LIG 1 7.134 -1.108 -0.608 0.00 0.00 +0.163 C ATOM 14 C LIG 1 7.226 -2.308 0.348 0.00 0.00 +0.240 C ATOM 15 O LIG 1 6.266 -2.991 0.697 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 8.492 -2.628 0.786 0.00 0.00 -0.255 N ATOM 17 H LIG 1 8.548 -3.418 1.415 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 9.623 -1.857 0.704 0.00 0.00 +0.219 C ATOM 19 O LIG 1 10.645 -2.167 1.309 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 9.550 -0.645 -0.192 0.00 0.00 +0.098 C ATOM 21 C LIG 1 8.153 -0.045 -0.194 0.00 0.00 +0.041 C ENDBRANCH 7 13 ENDBRANCH 1 2 BRANCH 1 24 ATOM 22 C LIG 1 -1.655 0.886 2.427 0.00 0.00 +0.025 C ATOM 23 C LIG 1 -1.641 1.775 1.179 0.00 0.00 +0.068 C ATOM 24 N LIG 1 -0.544 1.295 0.306 0.00 0.00 -0.293 NA ATOM 25 C LIG 1 -1.050 0.784 -0.980 0.00 0.00 +0.100 C ATOM 26 C LIG 1 -2.307 -0.090 -0.786 0.00 0.00 +0.100 C ATOM 27 N LIG 1 -3.479 0.667 -0.296 0.00 0.00 -0.289 NA ATOM 28 C LIG 1 -3.043 1.834 0.502 0.00 0.00 +0.104 C BRANCH 27 29 ATOM 29 C LIG 1 -4.455 -0.206 0.415 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -4.836 -1.467 -0.376 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -5.324 -1.394 -1.692 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.673 -2.551 -2.390 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.543 -3.798 -1.783 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.064 -3.889 -0.478 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.714 -2.733 0.223 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -5.735 0.527 0.847 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -6.367 1.471 0.018 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -7.537 2.112 0.427 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -8.097 1.815 1.668 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -7.490 0.876 2.498 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -6.319 0.234 2.091 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 27 29 ENDBRANCH 1 24 TORSDOF 6