REMARK Name = BDB016715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.047 2.611 0.334 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.499 2.713 1.627 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.243 2.145 1.872 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.492 1.505 0.895 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.702 1.079 1.562 0.00 0.00 +0.100 A ATOM 6 N LIG 1 0.663 1.403 2.866 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.026 1.416 -0.403 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.490 2.070 3.009 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -0.716 2.443 3.924 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.285 1.978 -0.662 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.040 -1.533 -0.234 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.883 -0.203 0.174 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.532 0.801 -0.535 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.575 2.297 -0.394 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.411 3.180 0.013 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.507 2.743 -1.497 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.909 1.606 -2.175 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.540 1.633 -2.959 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.827 3.897 -1.726 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.583 2.965 0.951 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.347 0.452 -1.623 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.539 -0.847 -2.040 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.870 -1.845 -1.329 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.448 -2.349 1.331 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.446 -2.619 0.352 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.853 0.365 1.006 0.00 0.00 +0.003 A ATOM 27 C LIG 1 2.357 0.677 -0.261 0.00 0.00 +0.013 A ATOM 28 C LIG 1 3.455 -0.020 -0.776 0.00 0.00 +0.046 A ATOM 29 C LIG 1 4.072 -1.030 -0.035 0.00 0.00 +0.121 A ATOM 30 C LIG 1 3.584 -1.338 1.234 0.00 0.00 +0.046 A ATOM 31 C LIG 1 2.483 -0.642 1.750 0.00 0.00 +0.013 A BRANCH 29 32 ATOM 32 O LIG 1 5.130 -1.630 -0.659 0.00 0.00 -0.490 OA BRANCH 32 33 ATOM 33 C LIG 1 5.847 -2.622 0.080 0.00 0.00 +0.250 C BRANCH 33 34 ATOM 34 C LIG 1 6.995 -3.143 -0.781 0.00 0.00 +0.163 C BRANCH 34 35 ATOM 35 N LIG 1 8.116 -2.224 -0.826 0.00 0.00 -0.334 N ATOM 36 C LIG 1 9.235 -2.289 -0.045 0.00 0.00 +0.199 A ATOM 37 N LIG 1 10.080 -1.328 -0.339 0.00 0.00 -0.244 NA ATOM 38 C LIG 1 9.484 -0.619 -1.351 0.00 0.00 +0.130 A ATOM 39 C LIG 1 8.264 -1.164 -1.675 0.00 0.00 +0.107 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 7