REMARK Name = BDB016424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.191 -0.274 -0.100 0.00 0.00 -0.008 A ATOM 2 C LIG 1 1.236 -0.535 0.901 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -0.128 -0.606 0.550 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -0.579 -0.434 -0.770 0.00 0.00 +0.038 A ATOM 5 N LIG 1 -1.965 -0.495 -1.072 0.00 0.00 -0.298 N ATOM 6 C LIG 1 -2.293 -0.629 -2.504 0.00 0.00 +0.111 C ATOM 7 C LIG 1 -1.505 0.387 -3.318 0.00 0.00 +0.024 C ATOM 8 C LIG 1 -0.021 0.085 -3.190 0.00 0.00 +0.038 C ATOM 9 C LIG 1 0.378 -0.133 -1.753 0.00 0.00 -0.025 A ATOM 10 C LIG 1 1.742 -0.072 -1.417 0.00 0.00 +0.014 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -2.927 -1.213 -0.282 0.00 0.00 +0.057 A ATOM 12 C LIG 1 -4.019 -0.493 0.301 0.00 0.00 +0.070 A ATOM 13 N LIG 1 -3.982 0.907 0.149 0.00 0.00 -0.338 N ATOM 14 H LIG 1 -3.289 1.141 -0.564 0.00 0.00 +0.146 HD ATOM 15 C LIG 1 -5.240 1.622 0.065 0.00 0.00 +0.076 C ATOM 16 C LIG 1 -5.783 1.786 1.468 0.00 0.00 +0.118 C ATOM 17 C LIG 1 -6.559 0.582 1.901 0.00 0.00 +0.219 C ATOM 18 N LIG 1 -6.107 -0.681 1.700 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -6.730 -1.351 2.135 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -7.625 0.720 2.512 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -4.970 2.993 -0.561 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -4.978 -1.210 1.042 0.00 0.00 +0.056 A ATOM 23 C LIG 1 -4.846 -2.609 1.158 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -3.777 -3.299 0.586 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -2.817 -2.603 -0.131 0.00 0.00 +0.025 A ENDBRANCH 5 11 BRANCH 1 29 ATOM 26 C LIG 1 6.338 -0.071 0.686 0.00 0.00 +0.125 A ATOM 27 N LIG 1 5.744 -1.289 0.641 0.00 0.00 -0.250 NA ATOM 28 C LIG 1 4.414 -1.314 0.393 0.00 0.00 +0.120 A ATOM 29 C LIG 1 3.628 -0.181 0.179 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.279 1.058 0.230 0.00 0.00 +0.012 A ATOM 31 C LIG 1 5.648 1.120 0.488 0.00 0.00 +0.033 A BRANCH 26 35 ATOM 32 C LIG 1 9.992 0.859 0.328 0.00 0.00 +0.128 C ATOM 33 N LIG 1 8.553 0.861 0.235 0.00 0.00 -0.313 N ATOM 34 H LIG 1 8.137 1.252 -0.599 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 7.811 -0.057 0.966 0.00 0.00 +0.262 C ATOM 36 O LIG 1 8.312 -0.823 1.782 0.00 0.00 -0.269 OA ENDBRANCH 26 35 ENDBRANCH 1 29 BRANCH 2 37 ATOM 37 C LIG 1 1.634 -0.759 2.341 0.00 0.00 +0.372 C ATOM 38 F LIG 1 0.575 -0.793 3.200 0.00 0.00 -0.204 F ATOM 39 F LIG 1 2.280 -1.945 2.515 0.00 0.00 -0.204 F ENDBRANCH 2 37 TORSDOF 4