REMARK Name = BDB005128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.491 -0.157 -2.026 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -0.665 -0.404 -1.264 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.854 0.282 -1.522 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.878 1.228 -2.555 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.734 1.490 -3.311 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.448 0.803 -3.045 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -3.053 0.088 -0.804 0.00 0.00 -0.280 N ATOM 8 H LIG 1 -3.837 0.645 -1.110 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -3.277 -0.759 0.263 0.00 0.00 +0.266 C ATOM 10 O LIG 1 -2.439 -1.491 0.779 0.00 0.00 -0.268 OA BRANCH 9 11 ATOM 11 C LIG 1 -4.630 -0.732 0.772 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -4.999 -1.514 1.837 0.00 0.00 -0.272 N ATOM 13 H LIG 1 -4.405 -2.158 2.352 0.00 0.00 +0.189 HD ATOM 14 N LIG 1 -6.285 -1.381 2.198 0.00 0.00 -0.178 NA ATOM 15 C LIG 1 -6.761 -0.485 1.335 0.00 0.00 +0.067 A ATOM 16 C LIG 1 -5.778 -0.045 0.424 0.00 0.00 +0.057 A BRANCH 15 17 ATOM 17 C LIG 1 -8.243 -0.020 1.382 0.00 0.00 +0.040 C ATOM 18 C LIG 1 -8.609 1.403 1.050 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -8.987 0.293 0.110 0.00 0.00 +0.010 C ENDBRANCH 15 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 C LIG 1 1.780 -0.889 -1.724 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 2.634 -0.011 -0.934 0.00 0.00 -0.324 N ATOM 22 H LIG 1 2.143 0.309 -0.103 0.00 0.00 +0.148 HD BRANCH 21 26 ATOM 23 C LIG 1 6.875 0.325 1.390 0.00 0.00 +0.063 A ATOM 24 C LIG 1 5.977 -0.419 0.595 0.00 0.00 +0.088 A ATOM 25 C LIG 1 4.763 0.198 0.233 0.00 0.00 +0.041 A ATOM 26 C LIG 1 3.873 -0.568 -0.549 0.00 0.00 +0.130 A ATOM 27 N LIG 1 4.173 -1.805 -0.971 0.00 0.00 -0.220 NA ATOM 28 C LIG 1 5.347 -2.299 -0.583 0.00 0.00 +0.223 A ATOM 29 C LIG 1 4.489 1.527 0.643 0.00 0.00 +0.013 A ATOM 30 C LIG 1 5.388 2.243 1.421 0.00 0.00 +0.002 A ATOM 31 N LIG 1 6.252 -1.677 0.181 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 6.577 1.640 1.797 0.00 0.00 +0.015 A BRANCH 23 36 ATOM 33 N LIG 1 8.539 -1.482 1.514 0.00 0.00 -0.325 N ATOM 34 H LIG 1 9.436 -1.842 1.806 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 7.928 -2.049 0.934 0.00 0.00 +0.145 HD ATOM 36 C LIG 1 8.194 -0.208 1.855 0.00 0.00 +0.244 C ATOM 37 O LIG 1 8.960 0.473 2.530 0.00 0.00 -0.270 OA ENDBRANCH 23 36 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7