REMARK Name = BDB028086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.981 -0.670 -0.949 0.00 0.00 +0.059 A ATOM 2 N LIG 1 -2.221 -1.762 -0.612 0.00 0.00 -0.254 NA ATOM 3 C LIG 1 -0.888 -1.637 -0.371 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -0.305 -0.396 -0.481 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.106 0.022 -0.278 0.00 0.00 +0.151 C ATOM 6 N LIG 1 1.073 1.456 -0.558 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.216 1.877 -0.895 0.00 0.00 +0.252 C ATOM 8 O LIG 1 -0.651 2.975 -1.190 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.080 0.693 -0.835 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -2.429 0.597 -1.079 0.00 0.00 +0.038 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.255 2.244 -0.566 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.468 1.706 -0.102 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.705 2.389 -0.158 0.00 0.00 -0.035 A ATOM 14 C LIG 1 4.663 3.689 -0.691 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.467 4.267 -1.120 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.272 3.549 -1.055 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 6.063 1.700 0.348 0.00 0.00 +0.049 C ATOM 18 C LIG 1 6.100 1.185 1.818 0.00 0.00 +0.174 C ATOM 19 O LIG 1 7.449 1.708 1.981 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 7.187 2.636 0.889 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 6.632 0.722 -0.706 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 6.003 -0.633 -0.678 0.00 0.00 +0.134 A ATOM 23 N LIG 1 6.613 -1.780 -0.231 0.00 0.00 -0.320 N ATOM 24 C LIG 1 7.954 -1.927 0.269 0.00 0.00 +0.151 C ATOM 25 C LIG 1 5.687 -2.771 -0.339 0.00 0.00 +0.224 A ATOM 26 N LIG 1 4.574 -2.280 -0.829 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 4.781 -0.943 -1.065 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -0.089 -2.865 -0.015 0.00 0.00 +0.038 C ATOM 29 C LIG 1 -0.664 -3.897 0.927 0.00 0.00 +0.010 C ATOM 30 C LIG 1 0.470 -3.029 1.381 0.00 0.00 +0.010 C ENDBRANCH 3 28 BRANCH 1 31 ATOM 31 C LIG 1 -4.476 -0.928 -1.181 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -4.989 -0.272 -2.474 0.00 0.00 +0.031 C BRANCH 31 36 ATOM 33 C LIG 1 -9.136 -1.149 -0.164 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -7.816 -0.386 -0.079 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -6.619 -1.347 -0.029 0.00 0.00 +0.088 C ATOM 36 N LIG 1 -5.316 -0.668 0.012 0.00 0.00 -0.294 NA ATOM 37 C LIG 1 -5.367 0.721 0.471 0.00 0.00 +0.085 C ATOM 38 C LIG 1 -6.393 0.907 1.588 0.00 0.00 +0.016 C ATOM 39 C LIG 1 -7.808 0.558 1.131 0.00 0.00 +0.006 C ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 7