REMARK Name = BDB065377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.931 0.742 1.718 0.00 0.00 -0.251 N ATOM 2 N LIG 1 -0.528 -0.540 1.776 0.00 0.00 -0.065 NA ATOM 3 N LIG 1 -1.589 -1.276 2.080 0.00 0.00 -0.133 NA ATOM 4 C LIG 1 -2.665 -0.435 2.230 0.00 0.00 +0.103 A ATOM 5 C LIG 1 -2.253 0.863 2.011 0.00 0.00 +0.135 A ENDROOT BRANCH 1 6 ATOM 6 C LIG 1 0.013 1.793 1.403 0.00 0.00 +0.145 C BRANCH 6 7 ATOM 7 C LIG 1 0.298 1.877 -0.095 0.00 0.00 +0.024 C BRANCH 7 8 ATOM 8 C LIG 1 1.277 2.997 -0.466 0.00 0.00 +0.006 C BRANCH 8 9 ATOM 9 C LIG 1 2.688 2.857 0.119 0.00 0.00 +0.035 C BRANCH 9 13 ATOM 10 C LIG 1 4.791 -0.661 -1.261 0.00 0.00 +0.059 A ATOM 11 C LIG 1 4.244 -0.626 0.028 0.00 0.00 +0.015 A ATOM 12 C LIG 1 3.568 0.514 0.474 0.00 0.00 +0.004 A ATOM 13 C LIG 1 3.426 1.632 -0.359 0.00 0.00 -0.047 A ATOM 14 C LIG 1 3.973 1.591 -1.649 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.652 0.455 -2.095 0.00 0.00 +0.015 A BRANCH 10 16 ATOM 16 C LIG 1 5.522 -1.845 -1.787 0.00 0.00 +0.339 C ATOM 17 O LIG 1 6.077 -1.866 -2.875 0.00 0.00 -0.245 OA BRANCH 16 19 ATOM 18 C LIG 1 6.134 -4.057 -1.346 0.00 0.00 +0.280 C ATOM 19 O LIG 1 5.471 -2.873 -0.902 0.00 0.00 -0.464 OA ENDBRANCH 16 19 ENDBRANCH 10 16 ENDBRANCH 9 13 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 1 6 BRANCH 4 20 ATOM 20 C LIG 1 -4.011 -0.965 2.577 0.00 0.00 +0.185 C BRANCH 20 21 ATOM 21 N LIG 1 -4.906 -0.850 1.428 0.00 0.00 -0.293 N ATOM 22 C LIG 1 -5.710 0.288 1.321 0.00 0.00 +0.350 A ATOM 23 O LIG 1 -5.685 1.167 2.181 0.00 0.00 -0.244 OA ATOM 24 N LIG 1 -6.537 0.400 0.229 0.00 0.00 -0.178 NA ATOM 25 C LIG 1 -6.527 -0.519 -0.685 0.00 0.00 +0.123 A ATOM 26 C LIG 1 -5.665 -1.715 -0.627 0.00 0.00 +0.061 A ATOM 27 C LIG 1 -4.885 -1.815 0.447 0.00 0.00 +0.094 A BRANCH 25 28 ATOM 28 N LIG 1 -7.373 -0.347 -1.746 0.00 0.00 -0.343 N ATOM 29 H LIG 1 -8.059 0.382 -1.567 0.00 0.00 +0.144 HD ATOM 30 H LIG 1 -7.781 -1.182 -2.148 0.00 0.00 +0.144 HD ENDBRANCH 25 28 ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 10