REMARK Name = BDB058762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.783 -3.407 1.074 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.308 -2.399 0.111 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.547 -1.665 -0.851 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.428 -0.833 -1.546 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.989 0.018 -2.577 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.372 0.028 -2.896 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.268 -0.778 -2.198 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.691 -1.050 -1.018 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.822 -1.645 -1.193 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.632 -2.005 -0.020 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.830 -2.463 0.741 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.696 -0.739 -2.579 0.00 0.00 +0.244 C ATOM 13 N LIG 1 3.652 -0.540 -1.612 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.576 -0.439 -2.018 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 3.018 -0.862 -3.756 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 3.433 0.102 -0.332 0.00 0.00 +0.140 C BRANCH 16 17 ATOM 17 C LIG 1 4.738 0.326 0.385 0.00 0.00 -0.027 A ATOM 18 C LIG 1 5.349 1.591 0.368 0.00 0.00 +0.054 A ATOM 19 C LIG 1 6.554 1.738 1.022 0.00 0.00 +0.167 A ATOM 20 O LIG 1 7.275 2.889 1.106 0.00 0.00 -0.453 OA ATOM 21 C LIG 1 8.406 2.443 1.883 0.00 0.00 +0.466 C ATOM 22 O LIG 1 8.339 1.049 2.249 0.00 0.00 -0.453 OA ATOM 23 C LIG 1 7.161 0.690 1.673 0.00 0.00 +0.166 A ATOM 24 C LIG 1 6.598 -0.567 1.704 0.00 0.00 +0.050 A ATOM 25 C LIG 1 5.376 -0.748 1.050 0.00 0.00 +0.009 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 -3.913 -0.401 -1.496 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -4.413 0.676 -0.560 0.00 0.00 -0.027 A ATOM 28 C LIG 1 -5.743 0.653 -0.109 0.00 0.00 +0.017 A ATOM 29 C LIG 1 -6.242 1.656 0.740 0.00 0.00 +0.055 A ATOM 30 C LIG 1 -5.386 2.691 1.143 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -4.068 2.732 0.692 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -3.586 1.735 -0.158 0.00 0.00 +0.005 A BRANCH 29 33 ATOM 33 C LIG 1 -7.664 1.596 1.240 0.00 0.00 +0.417 C ATOM 34 F LIG 1 -8.527 1.080 0.320 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -8.170 2.814 1.580 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -7.791 0.814 2.348 0.00 0.00 -0.166 F ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 6