REMARK Name = BDB042883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.172 0.004 1.989 0.00 0.00 +0.096 A ATOM 2 C LIG 1 -2.572 -0.098 2.108 0.00 0.00 +0.261 A ATOM 3 N LIG 1 -3.217 -0.601 3.195 0.00 0.00 -0.109 NA ATOM 4 N LIG 1 -2.502 -1.017 4.264 0.00 0.00 -0.154 NA ATOM 5 C LIG 1 -1.163 -0.912 4.221 0.00 0.00 +0.137 A ATOM 6 C LIG 1 -0.473 -0.410 3.125 0.00 0.00 +0.050 A ENDROOT BRANCH 1 11 ATOM 7 N LIG 1 3.460 0.780 -0.506 0.00 0.00 -0.298 NA ATOM 8 C LIG 1 2.461 -0.306 -0.736 0.00 0.00 +0.094 C ATOM 9 C LIG 1 1.355 0.776 -0.573 0.00 0.00 +0.013 C ATOM 10 C LIG 1 0.867 0.977 0.868 0.00 0.00 +0.114 C ATOM 11 N LIG 1 -0.531 0.512 0.861 0.00 0.00 -0.325 N ATOM 12 C LIG 1 -0.856 -0.086 -0.441 0.00 0.00 +0.106 C ATOM 13 C LIG 1 0.103 0.601 -1.411 0.00 0.00 +0.030 C ATOM 14 C LIG 1 2.463 1.732 -1.080 0.00 0.00 +0.094 C BRANCH 7 15 ATOM 15 C LIG 1 4.657 0.633 -1.376 0.00 0.00 +0.059 C BRANCH 15 17 ATOM 16 C LIG 1 6.406 2.140 -2.548 0.00 0.00 +0.009 C ATOM 17 C LIG 1 5.458 1.979 -1.359 0.00 0.00 -0.000 C ATOM 18 C LIG 1 6.189 2.253 -0.043 0.00 0.00 +0.009 C ENDBRANCH 15 17 BRANCH 15 19 ATOM 19 C LIG 1 5.438 -0.609 -0.856 0.00 0.00 +0.020 C BRANCH 19 20 ATOM 20 C LIG 1 6.701 -0.976 -1.634 0.00 0.00 +0.017 C BRANCH 20 21 ATOM 21 C LIG 1 7.217 -2.407 -1.388 0.00 0.00 +0.084 C BRANCH 21 22 ATOM 22 N LIG 1 7.688 -2.791 -0.051 0.00 0.00 -0.308 NA ATOM 23 C LIG 1 8.561 -1.810 0.582 0.00 0.00 +0.104 C ATOM 24 C LIG 1 6.629 -3.237 0.847 0.00 0.00 +0.104 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 O LIG 1 -3.382 0.351 1.075 0.00 0.00 -0.435 OA BRANCH 25 26 ATOM 26 C LIG 1 -4.174 1.423 1.417 0.00 0.00 +0.143 A ATOM 27 C LIG 1 -5.566 1.288 1.497 0.00 0.00 +0.082 A ATOM 28 C LIG 1 -6.365 2.384 1.839 0.00 0.00 +0.055 A ATOM 29 C LIG 1 -5.760 3.615 2.053 0.00 0.00 +0.124 A ATOM 30 F LIG 1 -6.517 4.671 2.374 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -4.380 3.775 1.935 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -3.584 2.678 1.609 0.00 0.00 +0.050 A BRANCH 27 33 ATOM 33 C LIG 1 -6.233 -0.006 1.304 0.00 0.00 +0.251 C ATOM 34 N LIG 1 -6.343 -0.542 0.014 0.00 0.00 -0.292 N ATOM 35 O LIG 1 -6.695 -0.526 2.316 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -5.960 0.196 -1.210 0.00 0.00 +0.070 C ATOM 37 C LIG 1 -4.917 -0.559 -2.038 0.00 0.00 +0.028 C ATOM 38 C LIG 1 -7.185 0.566 -2.052 0.00 0.00 +0.028 C ENDBRANCH 34 36 BRANCH 34 39 ATOM 39 C LIG 1 -6.959 -1.879 -0.141 0.00 0.00 +0.070 C ATOM 40 C LIG 1 -8.422 -1.923 0.312 0.00 0.00 +0.028 C ATOM 41 C LIG 1 -6.127 -2.977 0.526 0.00 0.00 +0.028 C ENDBRANCH 34 39 ENDBRANCH 27 33 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 12