REMARK Name = BDB034584 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.791 -0.975 1.018 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.730 0.001 1.306 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.436 -1.563 0.778 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -0.653 -2.722 0.444 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 4.478 -1.236 1.264 0.00 0.00 -0.006 A ATOM 6 C LIG 1 3.158 -0.748 1.293 0.00 0.00 +0.030 A ATOM 7 C LIG 1 2.068 -1.554 0.941 0.00 0.00 +0.034 A ATOM 8 C LIG 1 2.303 -2.866 0.543 0.00 0.00 +0.023 A ATOM 9 C LIG 1 3.605 -3.368 0.498 0.00 0.00 +0.002 A ATOM 10 C LIG 1 4.684 -2.561 0.855 0.00 0.00 +0.007 A BRANCH 5 11 ATOM 11 C LIG 1 5.627 -0.312 1.671 0.00 0.00 +0.172 C ATOM 12 F LIG 1 5.130 0.776 2.376 0.00 0.00 -0.234 F ATOM 13 C LIG 1 6.580 -0.977 2.672 0.00 0.00 +0.056 C BRANCH 11 14 ATOM 14 C LIG 1 6.358 0.305 0.450 0.00 0.00 +0.274 C ATOM 15 F LIG 1 5.447 1.024 -0.280 0.00 0.00 -0.233 F BRANCH 14 18 ATOM 16 C LIG 1 6.362 0.230 -2.682 0.00 0.00 +0.151 C ATOM 17 N LIG 1 7.044 -0.677 -1.800 0.00 0.00 -0.318 N ATOM 18 C LIG 1 7.081 -0.664 -0.429 0.00 0.00 +0.171 A ATOM 19 N LIG 1 7.883 -1.634 -0.033 0.00 0.00 -0.132 NA ATOM 20 N LIG 1 8.326 -2.314 -1.137 0.00 0.00 -0.138 NA ATOM 21 C LIG 1 7.825 -1.722 -2.191 0.00 0.00 +0.224 A ENDBRANCH 14 18 ENDBRANCH 11 14 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -1.580 -0.612 0.983 0.00 0.00 +0.126 A ATOM 23 N LIG 1 -1.237 0.661 1.337 0.00 0.00 -0.247 NA ATOM 24 C LIG 1 -2.232 1.561 1.541 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -3.571 1.176 1.398 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -3.915 -0.133 1.024 0.00 0.00 -0.029 A ATOM 27 C LIG 1 -2.884 -1.046 0.817 0.00 0.00 +0.038 A BRANCH 24 28 ATOM 28 C LIG 1 -1.805 2.966 1.917 0.00 0.00 +0.038 C ATOM 29 C LIG 1 -2.640 4.183 1.600 0.00 0.00 +0.010 C ATOM 30 C LIG 1 -2.498 3.724 3.023 0.00 0.00 +0.010 C ENDBRANCH 24 28 BRANCH 26 31 ATOM 31 C LIG 1 -5.360 -0.541 0.857 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 -5.931 -0.413 -0.478 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 -6.033 0.947 -1.005 0.00 0.00 +0.091 C ATOM 34 C LIG 1 -6.302 0.694 -2.473 0.00 0.00 -0.015 C ATOM 35 C LIG 1 -5.939 1.747 -3.496 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -7.381 1.453 -3.210 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -6.064 -0.760 -2.771 0.00 0.00 +0.023 C ATOM 38 C LIG 1 -5.341 -1.247 -1.522 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 3 22 TORSDOF 8