REMARK Name = BDB039972 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.107 -1.558 0.069 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.519 -0.316 0.219 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.076 0.817 0.174 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.942 -0.580 0.464 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.964 0.329 0.673 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.255 -0.174 0.880 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.468 -1.575 0.873 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.416 -2.486 0.660 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.146 -1.954 0.455 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.849 -2.650 0.200 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.785 -0.920 -0.555 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.406 -0.731 -0.298 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.488 -1.788 -0.184 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.981 -3.090 -0.325 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.335 -3.322 -0.569 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.220 -2.252 -0.680 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.808 0.329 -0.674 0.00 0.00 +0.080 C ATOM 18 C LIG 1 -4.294 1.581 -1.445 0.00 0.00 +0.177 C ATOM 19 O LIG 1 -5.526 1.644 -2.213 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.820 0.275 -1.848 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 -5.462 0.569 0.697 0.00 0.00 +0.248 C ATOM 22 F LIG 1 -6.299 -0.492 0.933 0.00 0.00 -0.236 F BRANCH 21 25 ATOM 23 C LIG 1 -8.575 1.019 0.902 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -7.547 2.022 0.980 0.00 0.00 -0.318 N ATOM 25 C LIG 1 -6.187 1.857 0.906 0.00 0.00 +0.168 A ATOM 26 N LIG 1 -5.619 3.030 1.123 0.00 0.00 -0.132 NA ATOM 27 N LIG 1 -6.606 3.967 1.294 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -7.758 3.348 1.203 0.00 0.00 +0.224 A ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.647 -3.972 0.641 0.00 0.00 +0.418 C ATOM 30 F LIG 1 4.924 -4.340 0.924 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.352 -4.521 -0.570 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.859 -4.624 1.541 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.419 0.772 1.111 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 6.460 0.616 0.094 0.00 0.00 -0.295 NA ATOM 35 C LIG 1 7.651 1.439 0.417 0.00 0.00 +0.058 C ATOM 36 C LIG 1 8.493 1.325 -0.902 0.00 0.00 +0.023 C ATOM 37 C LIG 1 7.262 2.105 -1.454 0.00 0.00 +0.006 C ATOM 38 C LIG 1 7.337 2.882 -0.112 0.00 0.00 +0.023 C ATOM 39 C LIG 1 6.098 1.154 -1.224 0.00 0.00 +0.088 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7