REMARK Name = BDB065013 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.395 2.300 -0.421 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.054 1.391 -1.249 0.00 0.00 +0.014 A ATOM 3 C LIG 1 2.326 0.939 -0.891 0.00 0.00 +0.012 A ATOM 4 C LIG 1 2.961 1.404 0.273 0.00 0.00 +0.017 A ATOM 5 C LIG 1 2.290 2.337 1.079 0.00 0.00 +0.012 A ATOM 6 C LIG 1 1.013 2.789 0.732 0.00 0.00 +0.014 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 -5.632 -0.434 -0.126 0.00 0.00 +0.282 C ATOM 8 N LIG 1 -4.444 0.283 -0.311 0.00 0.00 -0.292 N ATOM 9 C LIG 1 -4.488 1.742 -0.198 0.00 0.00 +0.130 C ATOM 10 C LIG 1 -3.372 2.456 -0.991 0.00 0.00 +0.091 C ATOM 11 C LIG 1 -3.632 2.387 -2.499 0.00 0.00 +0.029 C ATOM 12 N LIG 1 -2.031 1.923 -0.679 0.00 0.00 -0.292 N ATOM 13 C LIG 1 -0.948 2.795 -0.777 0.00 0.00 +0.247 C ATOM 14 O LIG 1 -1.042 3.969 -1.122 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 -1.976 0.612 -0.017 0.00 0.00 +0.127 C ATOM 16 C LIG 1 -3.116 -0.325 -0.436 0.00 0.00 +0.127 C ATOM 17 O LIG 1 -6.649 0.156 0.249 0.00 0.00 -0.267 OA BRANCH 7 20 ATOM 18 C LIG 1 -7.733 -2.651 0.923 0.00 0.00 +0.048 C ATOM 19 C LIG 1 -6.549 -2.848 0.050 0.00 0.00 -0.000 A ATOM 20 C LIG 1 -5.649 -1.873 -0.373 0.00 0.00 +0.192 A ATOM 21 O LIG 1 -4.709 -2.453 -1.185 0.00 0.00 -0.458 OA ATOM 22 C LIG 1 -4.991 -3.776 -1.263 0.00 0.00 +0.196 A ATOM 23 C LIG 1 -6.108 -4.072 -0.524 0.00 0.00 +0.045 A ENDBRANCH 7 20 ENDBRANCH 1 13 BRANCH 4 24 ATOM 24 C LIG 1 4.293 0.890 0.607 0.00 0.00 +0.139 A ATOM 25 N LIG 1 5.160 1.478 1.498 0.00 0.00 -0.338 N ATOM 26 H LIG 1 4.989 2.333 2.006 0.00 0.00 +0.167 HD ATOM 27 C LIG 1 6.307 0.729 1.566 0.00 0.00 +0.067 A ATOM 28 C LIG 1 6.102 -0.305 0.655 0.00 0.00 +0.102 A ATOM 29 C LIG 1 7.122 -1.259 0.479 0.00 0.00 +0.064 A ATOM 30 C LIG 1 8.309 -1.131 1.228 0.00 0.00 +0.015 A ATOM 31 C LIG 1 8.473 -0.083 2.137 0.00 0.00 +0.003 A ATOM 32 C LIG 1 7.472 0.875 2.325 0.00 0.00 +0.028 A ATOM 33 N LIG 1 4.848 -0.193 0.098 0.00 0.00 -0.227 NA BRANCH 29 34 ATOM 34 C LIG 1 6.958 -2.365 -0.486 0.00 0.00 +0.244 C ATOM 35 O LIG 1 6.444 -2.226 -1.586 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 7.429 -3.588 -0.084 0.00 0.00 -0.325 N ATOM 37 H LIG 1 7.187 -4.365 -0.686 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 7.604 -3.789 0.890 0.00 0.00 +0.145 HD ENDBRANCH 29 34 ENDBRANCH 4 24 TORSDOF 4