REMARK Name = BDB044810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.385 -0.852 1.151 0.00 0.00 +0.245 C ATOM 2 N LIG 1 -1.537 -0.599 0.440 0.00 0.00 -0.306 N ATOM 3 H LIG 1 -1.445 -0.276 -0.516 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.368 -1.053 2.360 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 0.134 -2.530 -1.315 0.00 0.00 +0.044 C ATOM 6 C LIG 1 1.115 -1.530 -0.774 0.00 0.00 -0.038 A ATOM 7 C LIG 1 0.877 -0.771 0.381 0.00 0.00 +0.041 A ATOM 8 C LIG 1 1.850 0.114 0.870 0.00 0.00 +0.036 A ATOM 9 C LIG 1 3.072 0.283 0.209 0.00 0.00 +0.034 A ATOM 10 C LIG 1 3.287 -0.427 -0.970 0.00 0.00 +0.023 A ATOM 11 C LIG 1 2.324 -1.326 -1.452 0.00 0.00 +0.006 A BRANCH 9 12 ATOM 12 N LIG 1 3.965 1.206 0.781 0.00 0.00 -0.285 N ATOM 13 H LIG 1 3.588 1.792 1.520 0.00 0.00 +0.155 HD ATOM 14 C LIG 1 5.279 1.522 0.572 0.00 0.00 +0.222 C ATOM 15 O LIG 1 5.710 2.513 1.170 0.00 0.00 -0.275 OA BRANCH 14 16 ATOM 16 C LIG 1 6.154 0.676 -0.333 0.00 0.00 +0.131 C BRANCH 16 17 ATOM 17 C LIG 1 7.638 0.833 -0.086 0.00 0.00 -0.039 A ATOM 18 C LIG 1 8.371 1.825 -0.753 0.00 0.00 +0.004 A ATOM 19 C LIG 1 9.740 1.970 -0.520 0.00 0.00 +0.000 A ATOM 20 C LIG 1 10.387 1.130 0.384 0.00 0.00 +0.000 A ATOM 21 C LIG 1 9.667 0.148 1.061 0.00 0.00 +0.000 A ATOM 22 C LIG 1 8.298 0.001 0.830 0.00 0.00 +0.004 A ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 1 7 BRANCH 2 23 ATOM 23 C LIG 1 -2.845 -0.529 1.090 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 C LIG 1 -3.078 0.784 1.903 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 O LIG 1 -1.987 1.089 2.794 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 -1.514 0.248 2.983 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -3.405 2.075 1.111 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 O LIG 1 -3.677 3.094 2.083 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -2.971 2.993 2.756 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -2.272 2.562 0.191 0.00 0.00 +0.037 C BRANCH 30 31 ATOM 31 C LIG 1 -2.542 3.837 -0.641 0.00 0.00 -0.015 C ATOM 32 C LIG 1 -3.788 3.711 -1.518 0.00 0.00 +0.007 C ATOM 33 C LIG 1 -2.601 5.115 0.194 0.00 0.00 +0.007 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 24 27 ENDBRANCH 23 24 BRANCH 23 34 ATOM 34 C LIG 1 -3.979 -0.796 0.082 0.00 0.00 +0.028 C BRANCH 34 35 ATOM 35 C LIG 1 -3.906 -2.156 -0.648 0.00 0.00 -0.009 C ATOM 36 C LIG 1 -3.995 -3.363 0.293 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -3.820 -4.688 -0.456 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -4.250 -4.630 -1.921 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -5.396 -3.653 -2.128 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -5.017 -2.228 -1.718 0.00 0.00 +0.003 C ENDBRANCH 34 35 ENDBRANCH 23 34 ENDBRANCH 2 23 TORSDOF 13