REMARK Name = BDB016704 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.679 -1.226 0.742 0.00 0.00 +0.093 A ATOM 2 C LIG 1 2.827 -0.506 1.197 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.914 -1.232 0.732 0.00 0.00 +0.067 A ATOM 4 C LIG 1 5.243 -0.858 0.964 0.00 0.00 +0.031 A ATOM 5 C LIG 1 5.497 0.323 1.687 0.00 0.00 -0.041 A ATOM 6 C LIG 1 4.401 1.052 2.179 0.00 0.00 +0.005 A ATOM 7 N LIG 1 3.376 -2.293 0.060 0.00 0.00 -0.276 N ATOM 8 H LIG 1 3.872 -3.038 -0.414 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 3.073 0.661 1.944 0.00 0.00 +0.012 A ATOM 10 N LIG 1 2.035 -2.316 0.045 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.918 0.764 1.956 0.00 0.00 +0.040 C ATOM 12 C LIG 1 7.866 1.157 0.840 0.00 0.00 +0.081 C ATOM 13 C LIG 1 7.547 1.164 -0.628 0.00 0.00 -0.011 A ATOM 14 C LIG 1 8.694 0.737 -1.316 0.00 0.00 +0.038 A ATOM 15 C LIG 1 8.761 0.623 -2.690 0.00 0.00 +0.023 A ATOM 16 C LIG 1 7.617 0.959 -3.413 0.00 0.00 +0.002 A ATOM 17 C LIG 1 6.456 1.398 -2.753 0.00 0.00 +0.000 A ATOM 18 N LIG 1 9.716 0.472 -0.401 0.00 0.00 -0.284 N ATOM 19 H LIG 1 10.648 0.167 -0.634 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 6.418 1.507 -1.358 0.00 0.00 +0.006 A ATOM 21 C LIG 1 9.309 0.711 0.899 0.00 0.00 +0.228 C ATOM 22 O LIG 1 9.969 0.588 1.918 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 7.333 2.210 1.768 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 25 ATOM 24 C LIG 1 -0.760 -1.514 0.563 0.00 0.00 +0.010 C ATOM 25 C LIG 1 0.320 -0.838 0.992 0.00 0.00 +0.031 C BRANCH 24 29 ATOM 26 C LIG 1 -4.845 -0.424 1.310 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -3.899 0.563 1.007 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -2.565 0.222 0.765 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -2.146 -1.111 0.837 0.00 0.00 -0.025 A ATOM 30 C LIG 1 -3.092 -2.099 1.127 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -4.427 -1.759 1.370 0.00 0.00 +0.004 A BRANCH 26 32 ATOM 32 C LIG 1 -6.285 -0.057 1.574 0.00 0.00 +0.038 C BRANCH 32 37 ATOM 33 C LIG 1 -8.906 -0.253 -3.592 0.00 0.00 +0.104 C ATOM 34 N LIG 1 -7.974 -0.291 -2.466 0.00 0.00 -0.305 NA ATOM 35 C LIG 1 -8.386 -1.308 -1.489 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -7.395 -1.393 -0.325 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -7.232 -0.029 0.358 0.00 0.00 -0.004 C ATOM 38 C LIG 1 -6.853 1.024 -0.692 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -7.861 1.035 -1.845 0.00 0.00 +0.084 C ENDBRANCH 32 37 ENDBRANCH 26 32 ENDBRANCH 24 29 ENDBRANCH 1 25 TORSDOF 5