REMARK Name = BDB016160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.255 -0.355 0.246 0.00 0.00 +0.022 A ATOM 2 C LIG 1 1.548 0.872 -0.394 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.490 1.500 -1.066 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -0.812 0.980 -1.037 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -1.104 -0.201 -0.347 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -0.054 -0.866 0.292 0.00 0.00 +0.020 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.479 -0.735 -0.308 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -3.499 -0.164 0.527 0.00 0.00 +0.057 A ATOM 9 N LIG 1 -3.130 0.936 1.314 0.00 0.00 -0.339 N ATOM 10 H LIG 1 -2.128 0.939 1.503 0.00 0.00 +0.146 HD ATOM 11 C LIG 1 -3.886 1.409 2.460 0.00 0.00 +0.076 C ATOM 12 C LIG 1 -5.237 1.926 2.035 0.00 0.00 +0.118 C ATOM 13 C LIG 1 -6.245 0.845 1.832 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -5.968 -0.249 1.084 0.00 0.00 -0.284 N ATOM 15 H LIG 1 -6.798 -0.820 0.980 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 -7.383 0.959 2.297 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 -3.881 0.409 3.614 0.00 0.00 +0.028 C ATOM 18 C LIG 1 -4.806 -0.699 0.427 0.00 0.00 +0.055 A ATOM 19 C LIG 1 -5.038 -1.823 -0.394 0.00 0.00 +0.025 A ATOM 20 C LIG 1 -4.029 -2.397 -1.158 0.00 0.00 +0.003 A ATOM 21 C LIG 1 -2.760 -1.847 -1.124 0.00 0.00 +0.010 A ENDBRANCH 5 7 BRANCH 1 22 ATOM 22 C LIG 1 2.302 -1.190 0.901 0.00 0.00 +0.074 C ATOM 23 N LIG 1 2.108 -1.597 2.118 0.00 0.00 -0.298 NA ATOM 24 H LIG 1 2.869 -2.207 2.435 0.00 0.00 +0.187 HD BRANCH 22 26 ATOM 25 C LIG 1 3.377 -2.015 -1.142 0.00 0.00 +0.078 C ATOM 26 C LIG 1 3.523 -1.538 0.108 0.00 0.00 +0.031 C BRANCH 25 28 ATOM 27 C LIG 1 4.225 -2.448 -3.449 0.00 0.00 +0.125 C ATOM 28 N LIG 1 4.362 -2.441 -2.011 0.00 0.00 -0.352 N ATOM 29 H LIG 1 5.301 -2.196 -1.661 0.00 0.00 +0.145 HD ENDBRANCH 25 28 BRANCH 26 30 ATOM 30 C LIG 1 4.873 -1.402 0.724 0.00 0.00 +0.112 C ATOM 31 N LIG 1 6.007 -1.514 0.110 0.00 0.00 -0.307 NA ATOM 32 H LIG 1 6.775 -1.368 0.777 0.00 0.00 +0.186 HD ENDBRANCH 26 30 ENDBRANCH 22 26 ENDBRANCH 1 22 BRANCH 2 33 ATOM 33 N LIG 1 2.854 1.379 -0.406 0.00 0.00 -0.341 N ATOM 34 H LIG 1 3.287 1.276 0.511 0.00 0.00 +0.146 HD BRANCH 33 35 ATOM 35 C LIG 1 3.163 2.667 -1.022 0.00 0.00 +0.129 C BRANCH 35 36 ATOM 36 C LIG 1 4.672 2.935 -0.967 0.00 0.00 +0.174 C BRANCH 36 37 ATOM 37 O LIG 1 4.993 4.166 -1.606 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 4.890 4.029 -2.564 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 2 33 TORSDOF 9