REMARK Name = BDB032771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.602 -1.894 0.205 0.00 0.00 +0.269 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.004 -1.499 -0.185 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -2.714 -0.570 0.589 0.00 0.00 +0.020 A ATOM 4 C LIG 1 -3.987 -0.226 0.175 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -4.936 0.709 0.786 0.00 0.00 +0.248 C ATOM 6 N LIG 1 -6.118 0.630 0.056 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -5.930 -0.157 -1.163 0.00 0.00 +0.144 C ATOM 8 O LIG 1 -4.685 1.413 1.745 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -4.576 -0.752 -0.970 0.00 0.00 -0.018 A ATOM 10 C LIG 1 -3.887 -1.658 -1.754 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -2.596 -2.029 -1.356 0.00 0.00 +0.007 A BRANCH 6 12 ATOM 12 C LIG 1 -7.212 1.596 0.213 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -8.379 1.314 -0.748 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -8.317 1.548 -1.955 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -9.455 0.632 -0.233 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -10.170 0.371 -0.899 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -9.548 0.030 0.996 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -10.445 -0.774 1.236 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -8.466 0.355 1.996 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -7.770 1.661 1.641 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 0.285 -0.891 -0.298 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 2.327 -0.108 -0.554 0.00 0.00 -0.250 N ATOM 23 H LIG 1 1.762 0.598 -1.008 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 1.594 -1.135 -0.033 0.00 0.00 +0.405 C ATOM 25 O LIG 1 1.998 -2.118 0.568 0.00 0.00 -0.226 OA BRANCH 22 30 ATOM 26 C LIG 1 5.995 -0.555 0.049 0.00 0.00 +0.148 A ATOM 27 C LIG 1 6.440 0.626 -0.575 0.00 0.00 +0.113 A ATOM 28 N LIG 1 5.577 1.495 -1.172 0.00 0.00 -0.249 NA ATOM 29 C LIG 1 4.258 1.202 -1.128 0.00 0.00 +0.135 A ATOM 30 C LIG 1 3.722 0.072 -0.525 0.00 0.00 +0.058 A ATOM 31 C LIG 1 4.617 -0.816 0.069 0.00 0.00 +0.072 A BRANCH 27 32 ATOM 32 C LIG 1 7.859 1.039 -0.659 0.00 0.00 +0.004 A ATOM 33 C LIG 1 8.722 0.988 0.450 0.00 0.00 +0.010 A ATOM 34 C LIG 1 10.057 1.392 0.353 0.00 0.00 +0.001 A ATOM 35 C LIG 1 10.556 1.864 -0.858 0.00 0.00 +0.000 A ATOM 36 C LIG 1 9.721 1.938 -1.969 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.387 1.533 -1.867 0.00 0.00 +0.010 A ENDBRANCH 27 32 BRANCH 26 39 ATOM 38 C LIG 1 6.503 -2.619 1.149 0.00 0.00 +0.277 C ATOM 39 O LIG 1 6.942 -1.390 0.585 0.00 0.00 -0.493 OA ENDBRANCH 26 39 ENDBRANCH 22 30 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 7