REMARK Name = BDB064878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.059 0.271 0.915 0.00 0.00 +0.000 C ATOM 2 C LIG 1 -0.798 0.522 2.229 0.00 0.00 +0.000 C ENDROOT BRANCH 1 5 ATOM 3 N LIG 1 -1.719 -0.537 -0.836 0.00 0.00 +0.000 N ATOM 4 H LIG 1 -1.520 -1.510 -0.510 0.00 0.00 +0.000 HD ATOM 5 C LIG 1 -0.971 0.540 -0.251 0.00 0.00 +0.000 C ATOM 6 O LIG 1 -1.117 1.720 -0.673 0.00 0.00 +0.000 OA BRANCH 3 7 ATOM 7 C LIG 1 -2.813 -0.324 -1.790 0.00 0.00 +0.000 C BRANCH 7 8 ATOM 8 B LIG 1 -4.173 -0.979 -1.243 0.00 0.00 +0.000 B ATOM 9 O LIG 1 -4.223 -1.431 0.146 0.00 0.00 +0.000 OA ATOM 10 C LIG 1 -5.440 -0.913 0.625 0.00 0.00 +0.000 C ATOM 11 C LIG 1 -6.119 -0.127 -0.569 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -6.195 1.443 -0.368 0.00 0.00 +0.000 C ATOM 13 C LIG 1 -5.733 1.906 1.051 0.00 0.00 +0.000 C ATOM 14 C LIG 1 -6.328 1.016 2.163 0.00 0.00 +0.000 C ATOM 15 C LIG 1 -7.813 0.593 2.026 0.00 0.00 +0.000 C ATOM 16 C LIG 1 -6.163 1.654 3.570 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -4.378 1.242 1.293 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -6.276 -2.134 1.059 0.00 0.00 +0.000 C ATOM 19 C LIG 1 -5.158 0.034 1.848 0.00 0.00 +0.000 C ATOM 20 O LIG 1 -5.429 -0.445 -1.746 0.00 0.00 +0.000 OA ENDBRANCH 7 8 BRANCH 7 21 ATOM 21 C LIG 1 -2.435 -0.823 -3.205 0.00 0.00 +0.000 C BRANCH 21 23 ATOM 22 C LIG 1 -2.610 -3.360 -2.828 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -1.720 -2.198 -3.292 0.00 0.00 +0.000 C ATOM 24 C LIG 1 -1.260 -2.449 -4.736 0.00 0.00 +0.000 C ENDBRANCH 21 23 ENDBRANCH 7 21 ENDBRANCH 3 7 ENDBRANCH 1 5 BRANCH 1 25 ATOM 25 N LIG 1 1.129 1.126 0.838 0.00 0.00 +0.000 N ATOM 26 H LIG 1 1.008 2.155 0.983 0.00 0.00 +0.000 HD ATOM 27 C LIG 1 2.423 0.626 0.468 0.00 0.00 +0.000 C ATOM 28 O LIG 1 2.529 -0.525 -0.038 0.00 0.00 +0.000 OA BRANCH 27 29 ATOM 29 C LIG 1 3.636 1.460 0.632 0.00 0.00 +0.000 A ATOM 30 C LIG 1 3.762 2.368 1.701 0.00 0.00 +0.000 A ATOM 31 F LIG 1 2.796 2.476 2.648 0.00 0.00 +0.000 F ATOM 32 C LIG 1 4.916 3.146 1.829 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.958 3.019 0.909 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.866 2.095 -0.142 0.00 0.00 +0.000 A ATOM 35 C LIG 1 4.697 1.328 -0.281 0.00 0.00 +0.000 A BRANCH 34 36 ATOM 36 C LIG 1 6.990 1.959 -1.140 0.00 0.00 +0.000 C BRANCH 36 37 ATOM 37 C LIG 1 7.474 0.532 -1.240 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.220 -0.109 -0.223 0.00 0.00 +0.000 A ATOM 39 C LIG 1 8.588 -1.464 -0.406 0.00 0.00 +0.000 A ATOM 40 C LIG 1 9.323 -2.130 0.594 0.00 0.00 +0.000 A ATOM 41 C LIG 1 9.693 -1.459 1.760 0.00 0.00 +0.000 A ATOM 42 C LIG 1 9.340 -0.123 1.942 0.00 0.00 +0.000 A ATOM 43 C LIG 1 8.211 -2.118 -1.591 0.00 0.00 +0.000 A ATOM 44 O LIG 1 8.521 -3.324 -1.793 0.00 0.00 +0.000 OA ATOM 45 N LIG 1 7.506 -1.442 -2.534 0.00 0.00 +0.000 N ATOM 46 H LIG 1 7.226 -1.925 -3.417 0.00 0.00 +0.000 HD ATOM 47 C LIG 1 8.612 0.552 0.960 0.00 0.00 +0.000 A ATOM 48 N LIG 1 7.152 -0.169 -2.359 0.00 0.00 +0.000 NA ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 27 29 ENDBRANCH 1 25 TORSDOF 9