REMARK Name = BDB022449 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.303 1.724 0.379 0.00 0.00 -0.016 A ATOM 2 C LIG 1 1.493 0.976 0.453 0.00 0.00 +0.013 A ATOM 3 C LIG 1 2.761 1.583 0.388 0.00 0.00 -0.035 A ATOM 4 C LIG 1 2.825 2.976 0.252 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.659 3.737 0.184 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.411 3.116 0.247 0.00 0.00 +0.008 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -3.518 -0.145 0.453 0.00 0.00 +0.125 A ATOM 8 N LIG 1 -3.244 0.762 -0.496 0.00 0.00 -0.240 NA ATOM 9 C LIG 1 -2.014 1.335 -0.493 0.00 0.00 +0.121 A ATOM 10 C LIG 1 -1.010 1.064 0.433 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -1.327 0.118 1.413 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -2.585 -0.491 1.424 0.00 0.00 +0.044 A BRANCH 7 14 ATOM 13 C LIG 1 -5.803 -0.575 -0.379 0.00 0.00 +0.242 C ATOM 14 N LIG 1 -4.764 -0.788 0.501 0.00 0.00 -0.267 N ATOM 15 H LIG 1 -4.885 -1.462 1.235 0.00 0.00 +0.157 HD ATOM 16 O LIG 1 -5.848 0.195 -1.328 0.00 0.00 -0.270 OA BRANCH 13 18 ATOM 17 C LIG 1 -8.082 -1.399 -0.813 0.00 0.00 -0.004 C ATOM 18 C LIG 1 -6.979 -1.437 -0.048 0.00 0.00 +0.065 C BRANCH 17 19 ATOM 19 C LIG 1 -9.312 -2.223 -0.575 0.00 0.00 +0.141 C BRANCH 19 20 ATOM 20 N LIG 1 -10.513 -1.476 -0.212 0.00 0.00 -0.188 NA ATOM 21 C LIG 1 -10.469 -0.788 1.069 0.00 0.00 +0.138 C BRANCH 20 23 ATOM 22 C LIG 1 -10.688 0.730 -1.245 0.00 0.00 +0.221 C ATOM 23 O LIG 1 -10.949 -0.670 -1.348 0.00 0.00 -0.300 OA ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 13 18 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 24 ATOM 24 C LIG 1 4.054 0.769 0.478 0.00 0.00 +0.102 C ATOM 25 C LIG 1 4.141 0.038 1.822 0.00 0.00 +0.022 C BRANCH 24 26 ATOM 26 C LIG 1 4.230 -0.232 -0.674 0.00 0.00 +0.225 C ATOM 27 N LIG 1 5.460 -0.662 -1.076 0.00 0.00 -0.268 N ATOM 28 H LIG 1 5.409 -1.333 -1.831 0.00 0.00 +0.156 HD ATOM 29 O LIG 1 3.264 -0.734 -1.264 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 C LIG 1 6.720 -0.331 -0.640 0.00 0.00 +0.147 A ATOM 31 N LIG 1 7.014 0.540 0.326 0.00 0.00 -0.158 NA ATOM 32 N LIG 1 8.355 0.530 0.396 0.00 0.00 -0.280 N ATOM 33 H LIG 1 8.813 1.129 1.074 0.00 0.00 +0.189 HD ATOM 34 C LIG 1 8.930 -0.329 -0.487 0.00 0.00 +0.041 A ATOM 35 C LIG 1 7.899 -0.900 -1.188 0.00 0.00 +0.068 A BRANCH 34 36 ATOM 36 C LIG 1 10.438 -0.587 -0.678 0.00 0.00 +0.037 C ATOM 37 C LIG 1 11.277 -0.943 0.519 0.00 0.00 +0.010 C ATOM 38 C LIG 1 10.959 -1.989 -0.507 0.00 0.00 +0.010 C ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 24 26 ENDBRANCH 3 24 TORSDOF 10