REMARK Name = BDB017620 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.974 -1.723 -1.131 0.00 0.00 -0.327 N ATOM 2 C LIG 1 1.658 -1.286 -2.506 0.00 0.00 +0.120 C ATOM 3 C LIG 1 0.950 0.091 -2.526 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -0.242 0.203 -1.651 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 0.127 -0.265 -0.291 0.00 0.00 +0.103 C ATOM 6 C LIG 1 0.799 -1.659 -0.227 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.759 -0.979 0.658 0.00 0.00 +0.072 A ATOM 8 C LIG 1 5.367 -0.290 -0.485 0.00 0.00 +0.137 A ATOM 9 F LIG 1 6.171 0.625 -1.051 0.00 0.00 -0.205 F ATOM 10 C LIG 1 4.125 -0.522 -1.088 0.00 0.00 +0.062 A ATOM 11 C LIG 1 3.216 -1.447 -0.560 0.00 0.00 +0.033 A ATOM 12 C LIG 1 3.632 -2.150 0.584 0.00 0.00 +0.024 A ATOM 13 C LIG 1 4.876 -1.922 1.190 0.00 0.00 +0.018 A BRANCH 7 15 ATOM 14 O LIG 1 7.345 -1.420 2.340 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 7.069 -0.768 1.335 0.00 0.00 +0.247 C ATOM 16 N LIG 1 7.924 0.169 0.787 0.00 0.00 -0.308 N ATOM 17 H LIG 1 7.642 0.668 -0.051 0.00 0.00 +0.149 HD BRANCH 16 18 ATOM 18 C LIG 1 9.199 0.466 1.355 0.00 0.00 +0.073 C ATOM 19 C LIG 1 9.381 1.683 2.219 0.00 0.00 +0.024 C ATOM 20 C LIG 1 10.008 1.632 0.857 0.00 0.00 +0.024 C ENDBRANCH 16 18 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 21 ATOM 21 C LIG 1 -1.384 -0.536 -2.216 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 C LIG 1 -2.687 -0.269 -1.492 0.00 0.00 -0.031 A ATOM 23 C LIG 1 -3.150 1.042 -1.317 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -4.356 1.282 -0.652 0.00 0.00 +0.051 A ATOM 25 C LIG 1 -5.146 0.229 -0.168 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -6.424 0.553 0.511 0.00 0.00 +0.045 A ATOM 27 N LIG 1 -7.268 -0.481 0.915 0.00 0.00 -0.343 N ATOM 28 H LIG 1 -7.198 -1.305 0.326 0.00 0.00 +0.146 HD ATOM 29 C LIG 1 -8.636 -0.202 1.340 0.00 0.00 +0.102 C ATOM 30 C LIG 1 -8.655 1.062 2.190 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -8.020 2.234 1.435 0.00 0.00 +0.044 C ATOM 32 C LIG 1 -6.755 1.844 0.718 0.00 0.00 +0.038 A ATOM 33 C LIG 1 -5.897 2.954 0.222 0.00 0.00 +0.254 A ATOM 34 O LIG 1 -6.198 4.131 0.393 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -4.669 -1.079 -0.335 0.00 0.00 +0.012 A ATOM 36 N LIG 1 -4.763 2.604 -0.452 0.00 0.00 -0.322 N ATOM 37 H LIG 1 -4.191 3.370 -0.779 0.00 0.00 +0.169 HD ATOM 38 C LIG 1 -3.458 -1.326 -0.994 0.00 0.00 +0.005 A ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 5