REMARK Name = BDB037159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.097 1.214 -0.932 0.00 0.00 +0.265 C ATOM 2 N LIG 1 1.274 0.954 -0.222 0.00 0.00 -0.181 N ATOM 3 H LIG 1 1.301 0.405 0.630 0.00 0.00 +0.177 HD ATOM 4 O LIG 1 0.043 1.909 -1.935 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -3.558 0.619 -0.229 0.00 0.00 +0.144 A ATOM 6 C LIG 1 -3.463 -0.507 0.599 0.00 0.00 +0.104 A ATOM 7 N LIG 1 -2.267 -1.082 0.923 0.00 0.00 -0.254 NA ATOM 8 C LIG 1 -1.144 -0.523 0.413 0.00 0.00 +0.124 A ATOM 9 C LIG 1 -1.141 0.599 -0.400 0.00 0.00 +0.060 A ATOM 10 C LIG 1 -2.377 1.171 -0.725 0.00 0.00 +0.062 A BRANCH 5 12 ATOM 11 C LIG 1 -4.955 2.034 -1.538 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -4.809 1.114 -0.463 0.00 0.00 -0.493 OA ENDBRANCH 5 12 BRANCH 6 13 ATOM 13 C LIG 1 -4.699 -1.171 1.158 0.00 0.00 +0.202 C BRANCH 13 14 ATOM 14 N LIG 1 -5.346 -2.019 0.167 0.00 0.00 -0.265 N ATOM 15 N LIG 1 -6.636 -1.803 -0.174 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 -6.901 -2.776 -1.049 0.00 0.00 +0.134 A ATOM 17 C LIG 1 -5.804 -3.632 -1.250 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -4.817 -3.130 -0.437 0.00 0.00 +0.109 A ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 S LIG 1 2.773 1.514 -0.717 0.00 0.00 +0.082 S ATOM 20 O LIG 1 2.707 2.958 -0.672 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 3.156 0.788 -1.910 0.00 0.00 -0.150 OA BRANCH 19 22 ATOM 22 C LIG 1 3.883 0.959 0.555 0.00 0.00 +0.191 A ATOM 23 C LIG 1 4.986 1.737 0.923 0.00 0.00 +0.150 A ATOM 24 C LIG 1 5.828 1.322 1.962 0.00 0.00 +0.048 A ATOM 25 C LIG 1 5.599 0.112 2.612 0.00 0.00 +0.007 A ATOM 26 C LIG 1 4.528 -0.689 2.225 0.00 0.00 +0.048 A ATOM 27 C LIG 1 3.684 -0.277 1.187 0.00 0.00 +0.150 A BRANCH 23 28 ATOM 28 O LIG 1 5.266 2.946 0.351 0.00 0.00 -0.493 OA ATOM 29 C LIG 1 6.167 2.794 -0.748 0.00 0.00 +0.277 C ENDBRANCH 23 28 BRANCH 27 30 ATOM 30 O LIG 1 2.620 -1.080 0.864 0.00 0.00 -0.493 OA ATOM 31 C LIG 1 3.062 -2.205 0.092 0.00 0.00 +0.277 C ENDBRANCH 27 30 ENDBRANCH 19 22 ENDBRANCH 2 19 TORSDOF 8