REMARK Name = BDB030564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.078 1.488 0.322 0.00 0.00 +0.159 A ATOM 2 C LIG 1 0.270 1.379 -0.015 0.00 0.00 +0.203 A ATOM 3 F LIG 1 0.651 1.598 -1.286 0.00 0.00 -0.198 F ATOM 4 C LIG 1 1.175 0.989 0.970 0.00 0.00 +0.163 A ATOM 5 N LIG 1 0.732 0.715 2.217 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -0.578 0.864 2.457 0.00 0.00 +0.225 A ATOM 7 N LIG 1 -1.514 1.241 1.573 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -1.988 1.923 -0.664 0.00 0.00 -0.326 N ATOM 9 H LIG 1 -1.787 1.471 -1.553 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.401 1.926 -0.300 0.00 0.00 +0.109 C BRANCH 10 14 ATOM 11 N LIG 1 -6.861 -0.439 -0.552 0.00 0.00 -0.292 NA ATOM 12 C LIG 1 -6.021 -0.706 0.633 0.00 0.00 +0.116 C ATOM 13 C LIG 1 -4.960 0.368 0.911 0.00 0.00 +0.133 C ATOM 14 C LIG 1 -3.992 0.499 -0.281 0.00 0.00 +0.037 C ATOM 15 C LIG 1 -4.681 0.150 -1.613 0.00 0.00 +0.023 C ATOM 16 C LIG 1 -6.186 0.410 -1.555 0.00 0.00 +0.085 C BRANCH 13 17 ATOM 17 O LIG 1 -4.230 0.027 2.091 0.00 0.00 -0.390 OA ATOM 18 H LIG 1 -3.393 0.537 2.078 0.00 0.00 +0.210 HD ENDBRANCH 13 17 BRANCH 11 19 ATOM 19 C LIG 1 -8.161 0.161 -0.149 0.00 0.00 +0.180 C BRANCH 19 23 ATOM 20 N LIG 1 -9.227 -1.057 -1.974 0.00 0.00 -0.328 N ATOM 21 H LIG 1 -8.424 -1.673 -1.897 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -9.772 -1.077 -2.824 0.00 0.00 +0.145 HD ATOM 23 C LIG 1 -9.154 0.139 -1.313 0.00 0.00 +0.225 C ATOM 24 O LIG 1 -9.863 1.089 -1.624 0.00 0.00 -0.275 OA ENDBRANCH 19 23 ENDBRANCH 11 19 ENDBRANCH 10 14 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 25 ATOM 25 N LIG 1 2.555 0.855 0.690 0.00 0.00 -0.305 N BRANCH 25 26 ATOM 26 C LIG 1 3.199 1.714 -0.326 0.00 0.00 +0.075 C ATOM 27 C LIG 1 3.062 3.216 -0.294 0.00 0.00 +0.024 C ATOM 28 C LIG 1 4.394 2.586 -0.039 0.00 0.00 +0.024 C ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 C LIG 1 3.377 0.271 1.759 0.00 0.00 +0.145 C BRANCH 29 30 ATOM 30 C LIG 1 4.553 -0.508 1.209 0.00 0.00 +0.005 A ATOM 31 C LIG 1 5.833 -0.310 1.729 0.00 0.00 +0.130 A ATOM 32 F LIG 1 6.026 0.591 2.704 0.00 0.00 -0.205 F ATOM 33 C LIG 1 6.928 -1.030 1.260 0.00 0.00 +0.066 A ATOM 34 C LIG 1 6.756 -1.986 0.249 0.00 0.00 +0.068 A ATOM 35 C LIG 1 5.474 -2.209 -0.274 0.00 0.00 +0.028 A ATOM 36 C LIG 1 4.383 -1.478 0.209 0.00 0.00 +0.010 A BRANCH 34 37 ATOM 37 N LIG 1 7.885 -2.711 -0.224 0.00 0.00 -0.240 N ATOM 38 N LIG 1 9.121 -2.491 0.295 0.00 0.00 -0.175 NA ATOM 39 C LIG 1 9.924 -3.322 -0.370 0.00 0.00 +0.135 A ATOM 40 C LIG 1 9.235 -4.088 -1.319 0.00 0.00 +0.041 A ATOM 41 C LIG 1 7.927 -3.679 -1.207 0.00 0.00 +0.114 A ENDBRANCH 34 37 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 4 25 TORSDOF 11