REMARK Name = BDB057157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.005 -0.137 0.843 0.00 0.00 -0.018 A ATOM 2 C LIG 1 -0.222 -0.180 0.164 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -1.419 0.138 0.814 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.419 0.508 2.163 0.00 0.00 -0.043 A ATOM 5 C LIG 1 -0.200 0.555 2.849 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.995 0.235 2.196 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 4.688 -1.103 -1.159 0.00 0.00 +0.122 A ATOM 8 C LIG 1 3.840 -0.129 -1.681 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.641 0.183 -1.025 0.00 0.00 +0.012 A ATOM 10 C LIG 1 2.264 -0.471 0.158 0.00 0.00 -0.018 A ATOM 11 C LIG 1 3.120 -1.461 0.660 0.00 0.00 +0.012 A ATOM 12 C LIG 1 4.314 -1.776 0.004 0.00 0.00 +0.046 A BRANCH 7 13 ATOM 13 O LIG 1 5.877 -1.507 -1.696 0.00 0.00 -0.477 OA BRANCH 13 14 ATOM 14 C LIG 1 6.541 -0.622 -2.600 0.00 0.00 +0.285 C BRANCH 14 16 ATOM 15 O LIG 1 5.460 -1.738 -4.500 0.00 0.00 -0.247 OA ATOM 16 C LIG 1 6.082 -0.786 -4.053 0.00 0.00 +0.346 C BRANCH 16 17 ATOM 17 O LIG 1 6.434 0.264 -4.842 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 6.911 0.982 -4.383 0.00 0.00 +0.295 HD ENDBRANCH 16 17 ENDBRANCH 14 16 BRANCH 14 19 ATOM 19 C LIG 1 8.045 -0.957 -2.546 0.00 0.00 +0.091 C BRANCH 19 20 ATOM 20 C LIG 1 8.784 -0.085 -1.554 0.00 0.00 -0.043 A ATOM 21 C LIG 1 9.727 0.855 -1.996 0.00 0.00 +0.004 A ATOM 22 C LIG 1 10.396 1.669 -1.081 0.00 0.00 +0.000 A ATOM 23 C LIG 1 10.131 1.552 0.282 0.00 0.00 +0.000 A ATOM 24 C LIG 1 9.201 0.617 0.733 0.00 0.00 +0.000 A ATOM 25 C LIG 1 8.533 -0.199 -0.180 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 4 26 ATOM 26 C LIG 1 -2.713 0.847 2.871 0.00 0.00 +0.091 C BRANCH 26 27 ATOM 27 C LIG 1 -3.592 -0.360 3.244 0.00 0.00 +0.285 C BRANCH 27 28 ATOM 28 C LIG 1 -2.817 -1.366 4.093 0.00 0.00 +0.346 C ATOM 29 O LIG 1 -2.661 -2.560 3.890 0.00 0.00 -0.247 OA BRANCH 28 30 ATOM 30 O LIG 1 -2.321 -0.821 5.229 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 -1.879 -1.584 5.661 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 27 28 BRANCH 27 32 ATOM 32 O LIG 1 -4.090 -1.028 2.082 0.00 0.00 -0.477 OA BRANCH 32 33 ATOM 33 C LIG 1 -5.241 -0.592 1.494 0.00 0.00 +0.122 A ATOM 34 C LIG 1 -5.978 0.538 1.839 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -7.142 0.865 1.129 0.00 0.00 +0.012 A ATOM 36 C LIG 1 -7.593 0.074 0.060 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -6.839 -1.058 -0.277 0.00 0.00 +0.012 A ATOM 38 C LIG 1 -5.678 -1.384 0.431 0.00 0.00 +0.046 A BRANCH 36 39 ATOM 39 C LIG 1 -8.815 0.424 -0.682 0.00 0.00 -0.018 A ATOM 40 C LIG 1 -8.799 0.558 -2.080 0.00 0.00 +0.008 A ATOM 41 C LIG 1 -9.959 0.891 -2.786 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -11.155 1.096 -2.104 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -11.193 0.968 -0.718 0.00 0.00 +0.001 A ATOM 44 C LIG 1 -10.033 0.636 -0.014 0.00 0.00 +0.008 A ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 14