REMARK Name = BDB000277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.679 0.725 -0.410 0.00 0.00 -0.011 A ATOM 2 C LIG 1 0.514 0.731 0.384 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -0.567 1.592 0.129 0.00 0.00 +0.073 A ATOM 4 N LIG 1 -1.728 1.594 0.913 0.00 0.00 -0.323 N ATOM 5 C LIG 1 -2.832 2.368 0.325 0.00 0.00 +0.149 C ATOM 6 C LIG 1 -2.293 3.686 -0.236 0.00 0.00 +0.188 C ATOM 7 O LIG 1 -1.361 3.433 -1.298 0.00 0.00 -0.486 OA ATOM 8 C LIG 1 -3.420 4.536 -0.810 0.00 0.00 +0.053 C ATOM 9 C LIG 1 -0.412 2.498 -0.946 0.00 0.00 +0.142 A ATOM 10 C LIG 1 0.726 2.494 -1.755 0.00 0.00 +0.048 A ATOM 11 C LIG 1 1.768 1.612 -1.489 0.00 0.00 +0.012 A ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 2.921 -1.453 -0.649 0.00 0.00 +0.056 A ATOM 13 C LIG 1 2.791 -0.181 -0.096 0.00 0.00 +0.043 A ATOM 14 C LIG 1 3.806 0.176 0.798 0.00 0.00 +0.129 A ATOM 15 N LIG 1 4.833 -0.630 1.100 0.00 0.00 -0.199 NA ATOM 16 C LIG 1 4.872 -1.818 0.503 0.00 0.00 +0.214 A ATOM 17 N LIG 1 3.949 -2.277 -0.341 0.00 0.00 -0.219 NA BRANCH 14 18 ATOM 18 N LIG 1 3.806 1.433 1.435 0.00 0.00 -0.343 N ATOM 19 H LIG 1 2.934 1.556 1.941 0.00 0.00 +0.144 HD ATOM 20 H LIG 1 3.838 2.162 0.727 0.00 0.00 +0.144 HD ENDBRANCH 14 18 BRANCH 16 21 ATOM 21 N LIG 1 5.919 -2.658 0.821 0.00 0.00 -0.327 N ATOM 22 H LIG 1 6.297 -2.393 1.720 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 5.637 -3.619 0.694 0.00 0.00 +0.145 HD ENDBRANCH 16 21 BRANCH 12 25 ATOM 24 C LIG 1 0.879 -2.887 -0.888 0.00 0.00 +0.010 C ATOM 25 C LIG 1 1.912 -2.034 -1.610 0.00 0.00 +0.053 C ENDBRANCH 12 25 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 C LIG 1 -2.099 0.465 1.774 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 C LIG 1 -2.602 -0.735 0.972 0.00 0.00 +0.047 C BRANCH 27 28 ATOM 28 C LIG 1 -2.883 -1.921 1.889 0.00 0.00 +0.161 C BRANCH 28 29 ATOM 29 O LIG 1 -3.545 -2.980 1.200 0.00 0.00 -0.383 OA ATOM 30 C LIG 1 -2.687 -3.731 0.352 0.00 0.00 +0.193 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 8