REMARK Name = BDB035745 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.498 1.623 -0.073 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.183 0.531 0.473 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.224 -0.531 0.906 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.614 0.854 0.435 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.683 0.093 0.874 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.970 0.624 0.725 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.135 1.899 0.128 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.036 2.660 -0.313 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.770 2.107 -0.144 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.430 2.657 -0.514 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.197 0.906 0.140 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -2.796 0.809 0.310 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -1.906 1.756 -0.220 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.452 2.851 -0.902 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.833 2.985 -1.059 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.697 2.024 -0.540 0.00 0.00 +0.006 A BRANCH 11 17 ATOM 17 C LIG 1 -5.103 -0.152 0.771 0.00 0.00 +0.174 C BRANCH 17 18 ATOM 18 C LIG 1 -4.775 -1.609 0.541 0.00 0.00 +0.158 A ATOM 19 N LIG 1 -4.206 -2.200 -0.562 0.00 0.00 -0.319 N ATOM 20 C LIG 1 -3.730 -1.627 -1.792 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -4.136 -3.534 -0.280 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -4.628 -3.765 0.912 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -5.029 -2.561 1.428 0.00 0.00 -0.132 NA ENDBRANCH 17 18 BRANCH 17 26 ATOM 24 C LIG 1 -8.687 -0.201 -0.621 0.00 0.00 +0.109 C ATOM 25 C LIG 1 -7.179 -0.193 -0.593 0.00 0.00 +0.213 C ATOM 26 N LIG 1 -6.563 0.055 0.629 0.00 0.00 -0.291 N ATOM 27 C LIG 1 -7.308 0.145 1.879 0.00 0.00 +0.133 C ATOM 28 O LIG 1 -6.555 -0.377 -1.638 0.00 0.00 -0.276 OA ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.213 4.011 -0.953 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.524 4.984 -0.294 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.503 4.434 -1.008 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.749 4.036 -2.233 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.183 -0.166 1.167 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.906 -0.675 0.001 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.236 -1.153 -0.604 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.062 -1.505 0.381 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.553 -2.226 -0.912 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.622 -3.526 -0.081 0.00 0.00 +0.004 C ATOM 39 C LIG 1 6.583 -2.900 0.873 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.145 -0.778 1.158 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8