REMARK Name = BDB060059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.308 0.401 -0.193 0.00 0.00 +0.078 C ATOM 2 C LIG 1 2.412 1.085 0.848 0.00 0.00 +0.032 C ATOM 3 C LIG 1 0.960 1.117 0.393 0.00 0.00 +0.109 C ATOM 4 N LIG 1 0.475 -0.216 0.029 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -0.881 -0.559 0.073 0.00 0.00 +0.249 C ATOM 6 O LIG 1 -1.385 -1.428 -0.636 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 1.303 -0.955 -0.916 0.00 0.00 +0.109 C ATOM 8 C LIG 1 2.766 -1.003 -0.486 0.00 0.00 +0.032 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -1.778 0.145 1.006 0.00 0.00 +0.072 A ATOM 10 C LIG 1 -1.534 0.130 2.376 0.00 0.00 +0.135 A ATOM 11 F LIG 1 -0.456 -0.486 2.881 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -2.407 0.770 3.250 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.545 1.410 2.752 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.830 1.399 1.376 0.00 0.00 -0.041 A ATOM 15 C LIG 1 -2.927 0.768 0.504 0.00 0.00 +0.020 A BRANCH 14 16 ATOM 16 C LIG 1 -5.062 2.110 0.859 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C LIG 1 -5.774 1.387 -0.277 0.00 0.00 +0.074 A ATOM 18 C LIG 1 -6.590 0.178 0.004 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -7.210 -0.436 -1.082 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -7.995 -1.581 -0.902 0.00 0.00 +0.014 A ATOM 21 C LIG 1 -8.160 -2.115 0.375 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.543 -1.505 1.466 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -7.033 0.133 -2.428 0.00 0.00 +0.272 A ATOM 24 O LIG 1 -7.567 -0.367 -3.411 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 -6.243 1.254 -2.510 0.00 0.00 -0.242 N ATOM 26 H LIG 1 -6.107 1.657 -3.432 0.00 0.00 +0.192 HD ATOM 27 C LIG 1 -6.759 -0.360 1.285 0.00 0.00 +0.010 A ATOM 28 N LIG 1 -5.623 1.877 -1.473 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 9 BRANCH 1 31 ATOM 29 N LIG 1 5.622 -0.106 -0.703 0.00 0.00 -0.284 N ATOM 30 H LIG 1 5.219 -0.315 -1.602 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 4.761 0.341 0.286 0.00 0.00 +0.220 C ATOM 32 O LIG 1 5.077 0.682 1.420 0.00 0.00 -0.275 OA BRANCH 29 34 ATOM 33 C LIG 1 7.705 -0.734 -1.777 0.00 0.00 +0.046 A ATOM 34 C LIG 1 7.017 -0.329 -0.609 0.00 0.00 +0.054 A ATOM 35 C LIG 1 7.731 -0.193 0.586 0.00 0.00 +0.025 A ATOM 36 C LIG 1 9.092 -0.506 0.644 0.00 0.00 +0.002 A ATOM 37 C LIG 1 9.751 -0.974 -0.487 0.00 0.00 +0.002 A ATOM 38 C LIG 1 9.052 -1.105 -1.686 0.00 0.00 +0.024 A BRANCH 33 39 ATOM 39 N LIG 1 7.046 -0.988 -3.000 0.00 0.00 -0.357 N ATOM 40 H LIG 1 6.295 -0.343 -3.207 0.00 0.00 +0.142 HD ATOM 41 H LIG 1 6.742 -1.958 -3.055 0.00 0.00 +0.142 HD ENDBRANCH 33 39 ENDBRANCH 29 34 ENDBRANCH 1 31 TORSDOF 6