REMARK Name = BDB010476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.696 0.215 -0.043 0.00 0.00 +0.150 A ATOM 2 C LIG 1 0.607 0.587 0.731 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.828 1.176 1.962 0.00 0.00 +0.186 A ATOM 4 N LIG 1 -0.343 1.506 2.585 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.289 1.177 1.738 0.00 0.00 +0.201 A ATOM 6 N LIG 1 2.041 1.405 2.479 0.00 0.00 -0.193 NA ATOM 7 C LIG 1 3.059 1.042 1.702 0.00 0.00 +0.222 A ATOM 8 N LIG 1 -0.764 0.551 0.623 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.913 0.475 0.486 0.00 0.00 -0.197 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.630 1.375 1.888 0.00 0.00 -0.289 N ATOM 11 C LIG 1 -3.197 2.688 1.407 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -3.514 3.617 2.607 0.00 0.00 +0.187 C ATOM 13 O LIG 1 -4.529 3.072 3.475 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 -4.493 1.637 3.537 0.00 0.00 +0.179 C ATOM 15 C LIG 1 -3.099 1.054 3.270 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 -2.408 3.385 0.305 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -1.240 4.117 0.578 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -0.524 4.730 -0.451 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -0.968 4.630 -1.768 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -2.127 3.915 -2.057 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -2.842 3.296 -1.029 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 1.584 -0.371 -1.298 0.00 0.00 -0.324 N ATOM 23 H LIG 1 0.751 -0.926 -1.412 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 3.430 0.135 -2.796 0.00 0.00 +0.028 C ATOM 25 C LIG 1 2.788 -0.936 -1.911 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 2.399 -2.144 -2.785 0.00 0.00 +0.009 C ATOM 27 C LIG 1 1.881 -3.401 -2.028 0.00 0.00 +0.005 C ATOM 28 C LIG 1 3.311 -3.966 -2.091 0.00 0.00 +0.001 C ATOM 29 C LIG 1 3.557 -3.046 -3.300 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 N LIG 1 4.356 1.222 2.183 0.00 0.00 -0.292 N ATOM 31 C LIG 1 4.492 2.195 3.254 0.00 0.00 +0.133 C BRANCH 30 32 ATOM 32 C LIG 1 5.431 1.133 1.185 0.00 0.00 +0.227 C BRANCH 32 33 ATOM 33 C LIG 1 5.406 2.195 0.092 0.00 0.00 +0.322 C ATOM 34 O LIG 1 5.920 2.082 -1.013 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 O LIG 1 4.847 3.372 0.443 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 4.890 3.902 -0.379 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 37 ATOM 37 C LIG 1 -1.534 -0.024 -0.463 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 -1.653 -1.559 -0.391 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -2.148 -2.102 -1.741 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -2.327 -3.618 -1.716 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -3.264 -4.058 -0.586 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -3.393 -5.579 -0.553 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -2.770 -3.526 0.764 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -2.587 -2.009 0.744 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 11