REMARK Name = BDB057780 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.140 -1.511 -0.538 0.00 0.00 -0.300 NA ATOM 2 C LIG 1 0.474 -0.643 -1.520 0.00 0.00 +0.085 C ATOM 3 C LIG 1 -0.746 0.111 -0.974 0.00 0.00 +0.022 C ATOM 4 C LIG 1 -1.781 -0.860 -0.356 0.00 0.00 +0.032 C ATOM 5 C LIG 1 -1.034 -1.687 0.716 0.00 0.00 +0.022 C ATOM 6 C LIG 1 0.175 -2.405 0.110 0.00 0.00 +0.085 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.945 -0.734 0.437 0.00 0.00 +0.119 C BRANCH 7 8 ATOM 8 C LIG 1 3.438 -1.080 0.241 0.00 0.00 +0.166 C BRANCH 8 9 ATOM 9 O LIG 1 3.599 -2.507 0.234 0.00 0.00 -0.387 OA ATOM 10 H LIG 1 2.850 -2.817 -0.315 0.00 0.00 +0.210 HD ENDBRANCH 8 9 BRANCH 8 11 ATOM 11 C LIG 1 4.304 -0.482 1.354 0.00 0.00 +0.261 C BRANCH 11 12 ATOM 12 O LIG 1 4.341 0.944 1.263 0.00 0.00 -0.489 OA BRANCH 12 16 ATOM 13 C LIG 1 7.711 2.911 -0.200 0.00 0.00 +0.052 A ATOM 14 C LIG 1 7.493 1.584 -0.584 0.00 0.00 +0.022 A ATOM 15 C LIG 1 6.371 0.888 -0.119 0.00 0.00 +0.047 A ATOM 16 C LIG 1 5.471 1.513 0.744 0.00 0.00 +0.121 A ATOM 17 C LIG 1 5.678 2.847 1.107 0.00 0.00 +0.047 A ATOM 18 C LIG 1 6.794 3.545 0.640 0.00 0.00 +0.022 A BRANCH 13 20 ATOM 19 N LIG 1 9.841 4.133 -1.043 0.00 0.00 -0.191 NA ATOM 20 C LIG 1 8.878 3.606 -0.666 0.00 0.00 +0.099 C ENDBRANCH 13 20 ENDBRANCH 12 16 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 21 ATOM 21 C LIG 1 -3.053 -0.120 0.209 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 C LIG 1 -4.138 -1.042 0.818 0.00 0.00 -0.011 A ATOM 23 C LIG 1 -4.287 -2.393 0.456 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -5.298 -3.185 1.013 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -6.192 -2.639 1.930 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -6.085 -1.297 2.282 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -5.076 -0.506 1.725 0.00 0.00 +0.007 A ENDBRANCH 21 22 BRANCH 21 28 ATOM 28 C LIG 1 -3.698 0.761 -0.883 0.00 0.00 -0.011 A ATOM 29 C LIG 1 -4.242 0.172 -2.045 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -4.821 0.955 -3.045 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.870 2.341 -2.905 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.346 2.942 -1.765 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.769 2.161 -0.761 0.00 0.00 +0.007 A ENDBRANCH 21 28 BRANCH 21 34 ATOM 34 O LIG 1 -2.562 0.727 1.272 0.00 0.00 -0.379 OA ATOM 35 H LIG 1 -2.608 0.206 2.093 0.00 0.00 +0.211 HD ENDBRANCH 21 34 ENDBRANCH 4 21 TORSDOF 11