REMARK Name = BDB035164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.803 -0.304 -0.041 0.00 0.00 +0.201 A ATOM 2 N LIG 1 3.810 0.438 -1.151 0.00 0.00 -0.143 NA ATOM 3 N LIG 1 2.493 0.587 -1.421 0.00 0.00 -0.219 N ATOM 4 C LIG 1 1.748 -0.078 -0.450 0.00 0.00 +0.160 A ATOM 5 C LIG 1 0.308 -0.056 -0.530 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.234 0.627 -1.572 0.00 0.00 +0.009 A ATOM 7 C LIG 1 0.567 1.313 -2.575 0.00 0.00 +0.020 A ATOM 8 C LIG 1 1.903 1.276 -2.475 0.00 0.00 +0.115 A ATOM 9 N LIG 1 2.557 -0.638 0.420 0.00 0.00 -0.205 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 4.035 -2.046 2.672 0.00 0.00 +0.048 C ATOM 11 C LIG 1 5.150 -1.491 1.869 0.00 0.00 -0.002 A ATOM 12 C LIG 1 5.098 -0.753 0.698 0.00 0.00 +0.111 A ATOM 13 N LIG 1 6.401 -0.497 0.345 0.00 0.00 -0.258 N ATOM 14 N LIG 1 7.289 -0.977 1.249 0.00 0.00 -0.178 NA ATOM 15 C LIG 1 6.528 -1.591 2.153 0.00 0.00 +0.138 A BRANCH 13 16 ATOM 16 C LIG 1 6.901 0.226 -0.822 0.00 0.00 +0.102 C ATOM 17 C LIG 1 8.228 -0.334 -1.348 0.00 0.00 +0.032 C ATOM 18 C LIG 1 7.030 1.717 -0.518 0.00 0.00 +0.032 C ENDBRANCH 13 16 ENDBRANCH 1 12 BRANCH 5 19 ATOM 19 C LIG 1 -0.521 -0.779 0.524 0.00 0.00 +0.074 C BRANCH 19 20 ATOM 20 C LIG 1 -2.021 -0.587 0.471 0.00 0.00 -0.043 A ATOM 21 C LIG 1 -2.828 -1.482 -0.243 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -4.212 -1.294 -0.298 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -4.815 -0.206 0.345 0.00 0.00 +0.017 A ATOM 24 C LIG 1 -4.009 0.677 1.073 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -2.623 0.494 1.129 0.00 0.00 +0.004 A BRANCH 23 26 ATOM 26 C LIG 1 -6.270 -0.048 0.270 0.00 0.00 +0.141 A ATOM 27 N LIG 1 -6.944 1.115 -0.042 0.00 0.00 -0.333 N ATOM 28 C LIG 1 -6.368 2.381 -0.427 0.00 0.00 +0.150 C ATOM 29 C LIG 1 -8.288 0.857 0.002 0.00 0.00 +0.119 A ATOM 30 C LIG 1 -8.407 -0.486 0.306 0.00 0.00 +0.162 A ATOM 31 N LIG 1 -7.138 -1.029 0.449 0.00 0.00 -0.224 NA BRANCH 30 32 ATOM 32 C LIG 1 -9.654 -1.307 0.465 0.00 0.00 +0.436 C ATOM 33 F LIG 1 -10.776 -0.572 0.220 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -9.694 -2.362 -0.391 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -9.790 -1.806 1.721 0.00 0.00 -0.164 F ENDBRANCH 30 32 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 5 19 TORSDOF 6