REMARK Name = BDB029569 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.776 0.985 -0.015 0.00 0.00 +0.028 A ATOM 2 C LIG 1 1.452 1.398 -0.231 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.855 1.325 -1.498 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -0.557 1.776 -1.669 0.00 0.00 +0.247 C ATOM 5 N LIG 1 -1.169 1.488 -2.887 0.00 0.00 -0.295 N ATOM 6 C LIG 1 -0.536 0.572 -3.833 0.00 0.00 +0.113 C ATOM 7 C LIG 1 0.960 0.837 -3.958 0.00 0.00 +0.055 C ATOM 8 O LIG 1 -1.126 2.367 -0.756 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.588 0.859 -2.594 0.00 0.00 -0.034 A ATOM 10 C LIG 1 2.920 0.490 -2.405 0.00 0.00 +0.006 A ATOM 11 C LIG 1 3.499 0.559 -1.131 0.00 0.00 +0.023 A ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 3.308 1.138 1.258 0.00 0.00 -0.341 N ATOM 13 H LIG 1 2.587 1.216 1.973 0.00 0.00 +0.146 HD BRANCH 12 19 ATOM 14 C LIG 1 8.472 -2.343 3.173 0.00 0.00 +0.109 C ATOM 15 C LIG 1 8.346 -1.245 2.144 0.00 0.00 +0.212 C ATOM 16 N LIG 1 7.058 -0.826 1.830 0.00 0.00 -0.302 N ATOM 17 C LIG 1 6.883 0.218 0.823 0.00 0.00 +0.109 C ATOM 18 C LIG 1 5.810 1.227 1.222 0.00 0.00 +0.041 C ATOM 19 C LIG 1 4.549 0.556 1.779 0.00 0.00 +0.073 C ATOM 20 C LIG 1 4.569 -0.969 1.704 0.00 0.00 +0.041 C ATOM 21 C LIG 1 5.857 -1.498 2.325 0.00 0.00 +0.109 C ATOM 22 O LIG 1 9.353 -0.764 1.626 0.00 0.00 -0.276 OA ENDBRANCH 12 19 ENDBRANCH 1 12 BRANCH 5 23 ATOM 23 C LIG 1 -2.563 1.889 -3.119 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -3.640 0.893 -2.631 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -3.368 -0.402 -3.189 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -2.712 -0.818 -2.604 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -3.756 0.845 -1.085 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.037 0.309 -0.564 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.071 0.499 0.904 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.261 -0.138 1.588 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -6.989 -1.163 0.965 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -8.066 -1.760 1.633 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.403 -1.359 2.925 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.671 -0.356 3.555 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.652 -1.568 -0.446 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -6.604 0.251 2.892 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.252 -1.109 -0.883 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 5 23 TORSDOF 7