REMARK Name = BDB057449 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.238 -0.036 0.921 0.00 0.00 -0.027 A ATOM 2 C LIG 1 0.823 -1.366 0.758 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.522 -1.693 0.499 0.00 0.00 -0.043 A ATOM 4 C LIG 1 -0.904 -3.139 0.343 0.00 0.00 +0.040 C ATOM 5 C LIG 1 -1.800 -3.631 1.471 0.00 0.00 +0.040 C ATOM 6 C LIG 1 -3.168 -3.019 1.691 0.00 0.00 -0.043 A ATOM 7 C LIG 1 -3.662 -1.819 1.141 0.00 0.00 -0.036 A ATOM 8 C LIG 1 -2.956 -0.939 0.095 0.00 0.00 +0.060 C ATOM 9 C LIG 1 -4.941 -1.371 1.562 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.719 -2.085 2.472 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -5.237 -3.269 2.999 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -3.977 -3.724 2.617 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -1.481 -0.671 0.412 0.00 0.00 -0.036 A ATOM 14 C LIG 1 -1.062 0.661 0.597 0.00 0.00 +0.005 A ATOM 15 C LIG 1 0.276 0.975 0.847 0.00 0.00 +0.006 A ENDROOT BRANCH 8 16 ATOM 16 C LIG 1 -3.229 -1.382 -1.382 0.00 0.00 +0.069 C ATOM 17 C LIG 1 -2.481 -0.515 -2.411 0.00 0.00 +0.017 C BRANCH 16 18 ATOM 18 C LIG 1 -4.688 -1.408 -1.723 0.00 0.00 +0.178 A ATOM 19 N LIG 1 -5.507 -0.342 -1.685 0.00 0.00 -0.138 NA ATOM 20 N LIG 1 -6.645 -0.918 -2.114 0.00 0.00 -0.176 N ATOM 21 H LIG 1 -7.515 -0.403 -2.204 0.00 0.00 +0.214 HD ATOM 22 N LIG 1 -6.565 -2.220 -2.421 0.00 0.00 -0.049 NA ATOM 23 N LIG 1 -5.304 -2.547 -2.176 0.00 0.00 -0.113 NA ENDBRANCH 16 18 ENDBRANCH 8 16 BRANCH 1 24 ATOM 24 C LIG 1 2.685 0.289 1.204 0.00 0.00 +0.160 C BRANCH 24 26 ATOM 25 C LIG 1 3.850 0.574 -1.045 0.00 0.00 +0.112 A ATOM 26 N LIG 1 3.307 1.051 0.133 0.00 0.00 -0.308 N ATOM 27 C LIG 1 3.531 2.405 0.177 0.00 0.00 +0.161 A ATOM 28 C LIG 1 4.189 2.699 -1.009 0.00 0.00 +0.111 A ATOM 29 C LIG 1 4.549 4.032 -1.256 0.00 0.00 -0.020 A ATOM 30 C LIG 1 4.210 4.956 -0.250 0.00 0.00 +0.028 A ATOM 31 C LIG 1 3.548 4.536 0.909 0.00 0.00 +0.041 A ATOM 32 C LIG 1 3.207 5.552 1.962 0.00 0.00 +0.065 C ATOM 33 C LIG 1 5.261 4.488 -2.491 0.00 0.00 +0.046 C ATOM 34 N LIG 1 3.185 3.256 1.163 0.00 0.00 -0.233 NA ATOM 35 N LIG 1 4.378 1.560 -1.752 0.00 0.00 -0.230 NA BRANCH 25 37 ATOM 36 C LIG 1 5.059 -1.611 -0.940 0.00 0.00 +0.012 C ATOM 37 C LIG 1 3.846 -0.859 -1.470 0.00 0.00 +0.071 C ENDBRANCH 25 37 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 5