REMARK Name = BDB027057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.208 -0.297 0.179 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.494 -1.032 1.483 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.282 -2.416 1.605 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.560 -3.074 2.805 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.058 -2.361 3.893 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.282 -0.991 3.784 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.004 -0.330 2.587 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -1.161 -0.647 -0.905 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -1.035 -1.635 -1.135 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.556 -0.351 -0.588 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 -3.446 -0.639 -1.805 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 -7.581 0.310 -0.975 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -7.049 -0.927 -0.592 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -5.713 -1.234 -0.861 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.895 -0.313 -1.528 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -5.433 0.920 -1.919 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -6.770 1.229 -1.651 0.00 0.00 +0.013 A BRANCH 12 21 ATOM 18 C LIG 1 -10.685 2.289 -0.103 0.00 0.00 +0.128 C ATOM 19 N LIG 1 -9.355 1.922 -0.520 0.00 0.00 -0.314 N ATOM 20 H LIG 1 -8.618 2.600 -0.389 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 -9.011 0.592 -0.666 0.00 0.00 +0.244 C ATOM 22 O LIG 1 -9.805 -0.330 -0.520 0.00 0.00 -0.270 OA ENDBRANCH 12 21 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 23 ATOM 23 C LIG 1 1.241 -0.592 -0.314 0.00 0.00 +0.186 C ATOM 24 O LIG 1 1.458 -1.510 -1.113 0.00 0.00 -0.290 OA BRANCH 23 25 ATOM 25 C LIG 1 2.350 0.216 0.218 0.00 0.00 +0.044 A ATOM 26 C LIG 1 3.733 0.149 -0.172 0.00 0.00 +0.010 A ATOM 27 C LIG 1 4.436 1.083 0.588 0.00 0.00 +0.048 A ATOM 28 C LIG 1 5.819 1.284 0.462 0.00 0.00 +0.034 A ATOM 29 C LIG 1 6.526 0.507 -0.471 0.00 0.00 -0.013 A ATOM 30 C LIG 1 5.839 -0.433 -1.246 0.00 0.00 +0.009 A ATOM 31 N LIG 1 3.528 1.695 1.417 0.00 0.00 -0.360 N ATOM 32 H LIG 1 3.762 2.414 2.088 0.00 0.00 +0.165 HD ATOM 33 C LIG 1 4.455 -0.620 -1.107 0.00 0.00 +0.011 A ATOM 34 C LIG 1 2.274 1.188 1.203 0.00 0.00 +0.095 A BRANCH 29 35 ATOM 35 C LIG 1 7.959 0.697 -0.624 0.00 0.00 +0.020 A ATOM 36 C LIG 1 8.861 -0.283 -0.987 0.00 0.00 +0.116 A ATOM 37 N LIG 1 10.091 0.308 -0.995 0.00 0.00 -0.274 N ATOM 38 C LIG 1 11.352 -0.315 -1.313 0.00 0.00 +0.172 C ATOM 39 N LIG 1 10.063 1.609 -0.657 0.00 0.00 -0.179 NA ATOM 40 C LIG 1 8.767 1.843 -0.432 0.00 0.00 +0.142 A ENDBRANCH 29 35 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9