REMARK Name = BDB010510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.577 -1.303 -0.308 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.409 -0.669 0.113 0.00 0.00 -0.318 N ATOM 3 C LIG 1 0.602 -0.999 -0.773 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.040 -1.744 -1.747 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.546 -2.220 -2.853 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 1.837 -1.878 -2.934 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.549 -1.167 -2.033 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.963 -0.723 -0.907 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.351 -1.940 -1.448 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -5.264 -1.768 0.322 0.00 0.00 -0.044 A ATOM 11 C LIG 1 -4.016 -1.798 -0.309 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -2.900 -1.276 0.345 0.00 0.00 +0.106 A ATOM 13 N LIG 1 -2.975 -0.745 1.587 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 -4.188 -0.731 2.184 0.00 0.00 +0.112 A ATOM 15 C LIG 1 -5.344 -1.224 1.603 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 -6.648 -3.822 -0.061 0.00 0.00 +0.009 C ATOM 17 C LIG 1 -6.481 -2.339 -0.355 0.00 0.00 +0.032 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 2.604 -2.338 -4.146 0.00 0.00 +0.375 C ATOM 19 O LIG 1 3.786 -2.143 -4.380 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 1.852 -3.034 -5.030 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 2.477 -3.259 -5.748 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 2.696 -0.041 0.053 0.00 0.00 -0.324 N ATOM 23 H LIG 1 2.503 -0.424 0.973 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 4.130 0.238 -0.118 0.00 0.00 +0.072 C ATOM 25 C LIG 1 4.397 1.181 -1.290 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 5.000 -1.016 -0.200 0.00 0.00 +0.009 C ATOM 27 C LIG 1 4.962 -1.972 1.026 0.00 0.00 +0.005 C ATOM 28 C LIG 1 6.465 -2.217 0.793 0.00 0.00 +0.001 C ATOM 29 C LIG 1 6.512 -0.832 0.118 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 30 ATOM 30 C LIG 1 -0.295 0.253 1.232 0.00 0.00 +0.127 C BRANCH 30 31 ATOM 31 C LIG 1 -0.889 1.649 0.964 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -0.072 2.450 -0.057 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -0.731 3.795 -0.383 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -1.373 4.497 0.827 0.00 0.00 -0.014 C ATOM 35 C LIG 1 -2.902 4.437 0.767 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -0.842 3.938 2.149 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.021 2.425 2.290 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 9