REMARK Name = BDB016726 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.526 -2.137 -0.876 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.247 -2.040 0.501 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.990 -1.570 0.901 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.984 -1.228 0.008 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.113 -0.804 0.825 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.217 -0.846 2.128 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.248 -1.349 -1.369 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.465 -1.334 2.140 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.917 -1.472 3.037 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.508 -1.806 -1.786 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.716 1.649 0.626 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.372 0.592 -0.225 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.212 -0.512 -0.302 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.146 -1.803 -1.070 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.886 -2.599 -1.350 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -7.419 -2.522 -0.688 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -8.091 -1.711 0.209 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.979 -1.965 0.615 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.764 -3.615 -1.104 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.604 -1.867 -2.468 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.398 -0.523 0.448 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.779 0.509 1.277 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.918 1.605 1.361 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.659 2.788 0.276 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.973 2.782 0.825 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.438 -0.348 0.405 0.00 0.00 +0.003 A ATOM 27 C LIG 1 2.059 0.716 1.057 0.00 0.00 +0.012 A ATOM 28 C LIG 1 3.328 1.165 0.654 0.00 0.00 +0.024 A ATOM 29 C LIG 1 4.033 0.578 -0.409 0.00 0.00 +0.030 A ATOM 30 C LIG 1 3.391 -0.508 -1.032 0.00 0.00 +0.024 A ATOM 31 C LIG 1 2.123 -0.967 -0.639 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 5.298 1.012 -0.808 0.00 0.00 -0.332 N ATOM 33 C LIG 1 5.802 0.622 -2.124 0.00 0.00 +0.129 C BRANCH 32 34 ATOM 34 C LIG 1 5.954 2.173 -0.180 0.00 0.00 +0.120 C BRANCH 34 35 ATOM 35 C LIG 1 6.637 1.854 1.177 0.00 0.00 +0.102 C BRANCH 35 36 ATOM 36 N LIG 1 7.827 0.982 1.228 0.00 0.00 -0.307 NA ATOM 37 C LIG 1 8.901 1.419 0.347 0.00 0.00 +0.104 C ATOM 38 C LIG 1 7.500 -0.424 1.009 0.00 0.00 +0.104 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 7