REMARK Name = BDB010347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.430 -2.216 -0.210 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.083 -1.933 -0.004 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.626 -2.635 0.959 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.930 -2.245 1.016 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 2.045 -1.294 0.124 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.100 -3.589 1.742 0.00 0.00 -0.202 NA ATOM 7 C LIG 1 -1.201 -3.785 1.505 0.00 0.00 +0.221 A ATOM 8 N LIG 1 0.839 -1.039 -0.501 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -1.968 -3.161 0.586 0.00 0.00 -0.206 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -1.882 -4.805 2.327 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -1.112 -5.432 3.255 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -1.965 -6.300 3.858 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -1.686 -7.069 4.760 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -3.178 -6.133 3.251 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -4.023 -6.638 3.482 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -3.127 -5.184 2.280 0.00 0.00 -0.127 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 3.166 -0.586 -0.189 0.00 0.00 -0.289 N ATOM 18 C LIG 1 3.709 0.230 0.952 0.00 0.00 +0.132 C ATOM 19 C LIG 1 4.641 -0.634 1.857 0.00 0.00 +0.187 C ATOM 20 O LIG 1 5.678 -1.301 1.118 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 5.088 -2.181 0.154 0.00 0.00 +0.179 C ATOM 22 C LIG 1 4.229 -1.397 -0.845 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 4.338 1.546 0.467 0.00 0.00 -0.025 A ATOM 24 C LIG 1 4.983 2.400 1.381 0.00 0.00 +0.005 A ATOM 25 C LIG 1 5.522 3.626 0.976 0.00 0.00 +0.000 A ATOM 26 C LIG 1 5.412 4.034 -0.349 0.00 0.00 +0.000 A ATOM 27 C LIG 1 4.756 3.221 -1.267 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.219 1.996 -0.861 0.00 0.00 +0.005 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 N LIG 1 -2.202 -1.579 -1.180 0.00 0.00 -0.324 N ATOM 30 H LIG 1 -1.717 -1.623 -2.071 0.00 0.00 +0.148 HD BRANCH 29 32 ATOM 31 C LIG 1 -4.095 -1.592 -2.699 0.00 0.00 +0.028 C ATOM 32 C LIG 1 -3.616 -1.980 -1.296 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 -4.459 -1.326 -0.190 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -4.627 0.220 -0.129 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -6.021 -0.031 0.483 0.00 0.00 +0.001 C ATOM 36 C LIG 1 -6.014 -1.398 -0.234 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 8 37 ATOM 37 C LIG 1 0.630 0.006 -1.487 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 0.409 1.407 -0.886 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -0.932 1.523 -0.146 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -1.160 2.932 0.399 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.063 3.991 -0.705 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -1.238 5.393 -0.125 0.00 0.00 +0.007 C ATOM 43 C LIG 1 0.271 3.877 -1.452 0.00 0.00 +0.003 C ATOM 44 C LIG 1 0.490 2.467 -1.997 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 8