REMARK Name = BDB047524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.663 0.495 -2.060 0.00 0.00 +0.235 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.163 -0.716 -1.626 0.00 0.00 +0.100 C BRANCH 2 7 ATOM 3 C LIG 1 3.227 0.189 -0.071 0.00 0.00 +0.228 A ATOM 4 O LIG 1 2.491 0.154 1.086 0.00 0.00 -0.440 OA ATOM 5 C LIG 1 1.234 -0.193 0.680 0.00 0.00 +0.126 A ATOM 6 C LIG 1 0.198 -0.302 1.721 0.00 0.00 +0.088 C ATOM 7 C LIG 1 1.260 -0.348 -0.690 0.00 0.00 +0.086 A ATOM 8 N LIG 1 2.533 -0.105 -1.156 0.00 0.00 -0.214 NA BRANCH 3 12 ATOM 9 C LIG 1 7.384 1.204 0.236 0.00 0.00 -0.047 A ATOM 10 C LIG 1 6.583 1.159 1.383 0.00 0.00 +0.004 A ATOM 11 C LIG 1 5.227 0.829 1.293 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.640 0.537 0.054 0.00 0.00 +0.037 A ATOM 13 C LIG 1 5.446 0.586 -1.092 0.00 0.00 +0.013 A ATOM 14 C LIG 1 6.802 0.916 -1.004 0.00 0.00 +0.004 A BRANCH 9 15 ATOM 15 C LIG 1 8.848 1.554 0.335 0.00 0.00 +0.035 C BRANCH 15 16 ATOM 16 C LIG 1 9.704 0.466 0.994 0.00 0.00 +0.004 C BRANCH 16 18 ATOM 17 C LIG 1 10.431 -0.741 -1.136 0.00 0.00 +0.004 C ATOM 18 C LIG 1 9.775 -0.861 0.231 0.00 0.00 -0.003 C ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 3 12 ENDBRANCH 2 7 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 O LIG 1 -1.468 1.005 -0.992 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 -2.687 0.438 -0.744 0.00 0.00 +0.121 A ATOM 21 C LIG 1 -3.391 1.038 0.306 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -4.635 0.540 0.656 0.00 0.00 -0.040 A ATOM 23 C LIG 1 -5.542 1.020 1.738 0.00 0.00 +0.036 C ATOM 24 C LIG 1 -6.472 -0.194 1.883 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -6.584 -0.861 0.483 0.00 0.00 +0.033 C ATOM 26 C LIG 1 -5.203 -0.531 -0.037 0.00 0.00 -0.040 A ATOM 27 C LIG 1 -4.509 -1.147 -1.066 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -3.247 -0.655 -1.421 0.00 0.00 +0.046 A BRANCH 25 29 ATOM 29 C LIG 1 -7.744 -0.285 -0.364 0.00 0.00 +0.105 C BRANCH 29 30 ATOM 30 C LIG 1 -7.480 -0.445 -1.859 0.00 0.00 +0.308 C ATOM 31 O LIG 1 -7.756 -1.443 -2.508 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 O LIG 1 -6.896 0.635 -2.426 0.00 0.00 -0.480 OA ATOM 33 H LIG 1 -6.594 1.307 -1.785 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 29 30 BRANCH 29 34 ATOM 34 C LIG 1 -9.108 -0.966 -0.088 0.00 0.00 +0.012 C ATOM 35 C LIG 1 -9.692 -0.737 1.295 0.00 0.00 +0.004 C ENDBRANCH 29 34 ENDBRANCH 25 29 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12