REMARK Name = BDB010371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.884 -0.098 -0.468 0.00 0.00 -0.307 N ATOM 2 C LIG 1 -0.159 0.771 -0.698 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.141 1.333 -1.924 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.647 2.215 -2.558 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -1.748 2.499 -1.858 0.00 0.00 +0.203 A ATOM 6 N LIG 1 -2.125 2.015 -0.647 0.00 0.00 -0.207 NA ATOM 7 N LIG 1 1.338 0.892 -2.399 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.325 1.125 -0.027 0.00 0.00 +0.152 A ATOM 9 C LIG 1 1.823 0.108 -1.461 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.686 3.478 -2.454 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.793 3.818 -1.772 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.077 3.470 -0.873 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.460 4.701 -2.523 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.521 5.230 -2.232 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.751 4.911 -3.679 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.584 4.082 -3.594 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 N LIG 1 -1.622 0.645 1.244 0.00 0.00 -0.310 N ATOM 18 C LIG 1 -2.982 0.131 1.550 0.00 0.00 +0.078 C ATOM 19 C LIG 1 -3.771 1.076 2.483 0.00 0.00 +0.023 C ATOM 20 C LIG 1 -3.407 2.545 2.314 0.00 0.00 +0.003 C ATOM 21 C LIG 1 -1.905 2.790 2.471 0.00 0.00 +0.019 C ATOM 22 C LIG 1 -1.062 1.528 2.281 0.00 0.00 +0.107 C BRANCH 18 23 ATOM 23 C LIG 1 -3.794 -0.393 0.351 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -5.004 -1.312 0.698 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -5.691 -0.778 -0.572 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -4.813 0.482 -0.441 0.00 0.00 +0.005 C ENDBRANCH 18 23 ENDBRANCH 8 17 BRANCH 9 27 ATOM 27 N LIG 1 3.052 -0.482 -1.463 0.00 0.00 -0.289 N ATOM 28 C LIG 1 4.072 -0.092 -0.432 0.00 0.00 +0.132 C ATOM 29 C LIG 1 5.497 0.044 -1.045 0.00 0.00 +0.187 C ATOM 30 O LIG 1 5.566 0.833 -2.240 0.00 0.00 -0.376 OA ATOM 31 C LIG 1 4.526 0.535 -3.187 0.00 0.00 +0.179 C ATOM 32 C LIG 1 3.644 -0.661 -2.808 0.00 0.00 +0.136 C BRANCH 28 33 ATOM 33 C LIG 1 3.723 1.127 0.424 0.00 0.00 -0.025 A ATOM 34 C LIG 1 3.556 0.981 1.813 0.00 0.00 +0.005 A ATOM 35 C LIG 1 3.235 2.078 2.616 0.00 0.00 +0.000 A ATOM 36 C LIG 1 3.078 3.337 2.045 0.00 0.00 +0.000 A ATOM 37 C LIG 1 3.247 3.502 0.673 0.00 0.00 +0.000 A ATOM 38 C LIG 1 3.574 2.408 -0.130 0.00 0.00 +0.005 A ENDBRANCH 28 33 ENDBRANCH 9 27 BRANCH 1 39 ATOM 39 C LIG 1 0.937 -1.101 0.581 0.00 0.00 +0.128 C BRANCH 39 44 ATOM 40 C LIG 1 2.769 -5.662 0.922 0.00 0.00 +0.007 C ATOM 41 C LIG 1 1.968 -4.363 0.848 0.00 0.00 -0.014 C ATOM 42 C LIG 1 0.633 -4.493 1.581 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -0.129 -3.166 1.617 0.00 0.00 +0.005 C ATOM 44 C LIG 1 0.008 -2.312 0.339 0.00 0.00 +0.009 C ATOM 45 C LIG 1 0.451 -3.175 -0.851 0.00 0.00 +0.005 C ATOM 46 C LIG 1 1.760 -3.931 -0.613 0.00 0.00 +0.003 C ENDBRANCH 39 44 ENDBRANCH 1 39 TORSDOF 7