REMARK Name = BDB024804 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.898 4.022 1.538 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.803 2.866 0.732 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.107 2.237 0.403 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -7.006 3.191 -0.413 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -6.001 0.943 -0.405 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -5.006 0.017 0.244 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.674 0.705 0.282 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.491 -0.055 0.130 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -2.347 -1.402 -0.106 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.050 -1.630 -0.158 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.344 -0.466 0.061 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.250 0.558 0.226 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.115 1.927 0.449 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.298 2.672 0.587 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.583 2.102 0.530 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.940 4.353 2.113 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -3.909 5.989 2.375 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -3.773 4.801 1.592 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.102 -0.326 0.141 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 1.713 0.071 -1.210 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 3.178 0.173 -1.171 0.00 0.00 -0.299 NA ATOM 22 C LIG 1 3.677 1.248 -0.306 0.00 0.00 +0.106 C ATOM 23 C LIG 1 5.143 1.366 -0.736 0.00 0.00 +0.088 C ATOM 24 C LIG 1 5.072 1.163 -2.248 0.00 0.00 +0.039 C ATOM 25 C LIG 1 3.750 0.434 -2.498 0.00 0.00 +0.086 C BRANCH 23 26 ATOM 26 N LIG 1 5.962 0.328 -0.112 0.00 0.00 -0.311 N ATOM 27 H LIG 1 5.532 -0.586 -0.004 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 7.316 0.328 0.062 0.00 0.00 +0.210 C ATOM 29 O LIG 1 7.904 -0.689 0.433 0.00 0.00 -0.276 OA ATOM 30 C LIG 1 8.056 1.610 -0.212 0.00 0.00 +0.109 C ENDBRANCH 23 26 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 -0.430 -2.965 -0.405 0.00 0.00 +0.096 C BRANCH 31 32 ATOM 32 C LIG 1 -0.295 -3.755 0.897 0.00 0.00 +0.132 C BRANCH 32 33 ATOM 33 N LIG 1 0.463 -4.992 0.704 0.00 0.00 -0.315 N ATOM 34 C LIG 1 1.857 -4.912 0.706 0.00 0.00 +0.251 A ATOM 35 O LIG 1 2.487 -3.874 0.878 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 2.582 -6.194 0.482 0.00 0.00 +0.070 A ATOM 37 C LIG 1 1.898 -7.328 0.277 0.00 0.00 +0.007 A ATOM 38 C LIG 1 0.459 -7.321 0.252 0.00 0.00 +0.018 A ATOM 39 C LIG 1 -0.209 -6.179 0.460 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8