REMARK Name = BDB057553 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.334 -0.755 3.152 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 0.836 0.422 -0.407 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.354 0.703 0.857 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.655 0.317 2.006 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.572 -0.353 1.908 0.00 0.00 -0.045 A ATOM 6 C LIG 1 -1.081 -0.637 0.638 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -0.383 -0.250 -0.508 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 1.411 0.744 -1.605 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 2.640 1.478 -1.563 0.00 0.00 +0.248 C BRANCH 9 10 ATOM 10 C LIG 1 3.104 1.760 -3.000 0.00 0.00 +0.150 C BRANCH 10 12 ATOM 11 C LIG 1 2.766 -0.442 -4.125 0.00 0.00 +0.134 C ATOM 12 N LIG 1 3.686 0.583 -3.657 0.00 0.00 -0.285 N BRANCH 12 13 ATOM 13 C LIG 1 4.931 0.172 -3.319 0.00 0.00 +0.291 A ATOM 14 O LIG 1 5.726 1.059 -2.636 0.00 0.00 -0.424 OA ATOM 15 C LIG 1 6.893 0.383 -2.443 0.00 0.00 +0.157 A ATOM 16 C LIG 1 6.752 -0.871 -3.010 0.00 0.00 +0.111 A ATOM 17 C LIG 1 7.824 -1.769 -2.944 0.00 0.00 +0.031 A ATOM 18 C LIG 1 8.999 -1.350 -2.301 0.00 0.00 +0.002 A ATOM 19 C LIG 1 9.101 -0.070 -1.740 0.00 0.00 +0.004 A ATOM 20 C LIG 1 8.037 0.838 -1.798 0.00 0.00 +0.048 A ATOM 21 N LIG 1 5.503 -0.991 -3.560 0.00 0.00 -0.195 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 CA LIG 1 -2.519 0.154 3.527 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C LIG 1 -2.072 1.614 3.674 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -2.547 2.574 3.085 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -1.106 1.798 4.598 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 -0.963 2.769 4.585 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 N LIG 1 -3.610 0.065 2.519 0.00 0.00 -0.331 N ATOM 28 H LIG 1 -3.815 1.004 2.157 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.761 -0.696 2.758 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -5.970 -0.443 2.070 0.00 0.00 +0.044 A ATOM 31 C LIG 1 -7.125 -1.212 2.290 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -7.081 -2.297 3.157 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.886 -2.614 3.792 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -4.742 -1.831 3.584 0.00 0.00 +0.023 A BRANCH 30 35 ATOM 35 C LIG 1 -6.099 0.664 1.094 0.00 0.00 +0.201 C ATOM 36 O LIG 1 -6.821 1.604 1.425 0.00 0.00 -0.286 OA BRANCH 35 37 ATOM 37 C LIG 1 -5.405 0.543 -0.181 0.00 0.00 +0.059 A ATOM 38 S LIG 1 -5.327 1.905 -1.222 0.00 0.00 -0.093 S ATOM 39 C LIG 1 -4.431 1.047 -2.397 0.00 0.00 +0.046 A ATOM 40 C LIG 1 -4.200 -0.256 -2.020 0.00 0.00 +0.008 A ATOM 41 C LIG 1 -4.763 -0.547 -0.743 0.00 0.00 +0.019 A ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 13