REMARK Name = BDB002626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.210 -0.219 -0.581 0.00 0.00 -0.270 N ATOM 2 C LIG 1 0.506 1.007 -1.164 0.00 0.00 +0.171 A ATOM 3 N LIG 1 1.769 1.310 -0.917 0.00 0.00 -0.128 NA ATOM 4 N LIG 1 2.352 0.257 -0.268 0.00 0.00 -0.122 NA ATOM 5 C LIG 1 1.425 -0.652 -0.077 0.00 0.00 +0.197 A ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -0.388 1.920 -2.081 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -0.034 3.217 -2.571 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -1.096 3.665 -3.360 0.00 0.00 +0.047 A ATOM 9 C LIG 1 -1.097 4.910 -4.000 0.00 0.00 +0.026 A ATOM 10 C LIG 1 0.024 5.728 -3.830 0.00 0.00 +0.002 A ATOM 11 C LIG 1 1.101 5.314 -3.052 0.00 0.00 +0.001 A ATOM 12 N LIG 1 -2.047 2.672 -3.359 0.00 0.00 -0.360 N ATOM 13 H LIG 1 -2.922 2.718 -3.862 0.00 0.00 +0.165 HD ATOM 14 C LIG 1 1.084 4.065 -2.419 0.00 0.00 +0.011 A ATOM 15 C LIG 1 -1.623 1.608 -2.605 0.00 0.00 +0.095 A ENDBRANCH 2 6 BRANCH 1 19 ATOM 16 C LIG 1 -3.549 -2.060 -0.049 0.00 0.00 +0.121 A ATOM 17 C LIG 1 -2.472 -2.798 -0.540 0.00 0.00 +0.047 A ATOM 18 C LIG 1 -1.224 -2.192 -0.724 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -1.055 -0.836 -0.428 0.00 0.00 +0.051 A ATOM 20 C LIG 1 -2.129 -0.091 0.067 0.00 0.00 +0.030 A ATOM 21 C LIG 1 -3.369 -0.707 0.250 0.00 0.00 +0.047 A BRANCH 16 22 ATOM 22 O LIG 1 -4.816 -2.523 0.172 0.00 0.00 -0.492 OA BRANCH 22 24 ATOM 23 C LIG 1 -5.479 -4.282 -1.359 0.00 0.00 +0.048 C ATOM 24 C LIG 1 -5.069 -3.922 0.059 0.00 0.00 +0.225 C ENDBRANCH 22 24 ENDBRANCH 16 22 ENDBRANCH 1 19 BRANCH 5 25 ATOM 25 S LIG 1 1.691 -2.071 0.889 0.00 0.00 -0.076 S BRANCH 25 26 ATOM 26 C LIG 1 0.940 -1.584 2.475 0.00 0.00 +0.173 C BRANCH 26 27 ATOM 27 C LIG 1 1.194 -0.128 2.817 0.00 0.00 +0.229 C ATOM 28 N LIG 1 2.388 0.315 3.296 0.00 0.00 -0.267 N ATOM 29 H LIG 1 2.450 1.322 3.359 0.00 0.00 +0.156 HD ATOM 30 O LIG 1 0.299 0.709 2.633 0.00 0.00 -0.275 OA BRANCH 28 31 ATOM 31 C LIG 1 3.503 -0.403 3.667 0.00 0.00 +0.168 A ATOM 32 N LIG 1 3.591 -1.732 3.753 0.00 0.00 -0.063 NA ATOM 33 O LIG 1 4.877 -2.011 4.170 0.00 0.00 -0.358 OA ATOM 34 C LIG 1 5.556 -0.849 4.345 0.00 0.00 +0.136 A ATOM 35 C LIG 1 6.956 -0.966 4.788 0.00 0.00 +0.089 C ATOM 36 C LIG 1 4.725 0.202 4.048 0.00 0.00 +0.091 A ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 8