REMARK Name = BDB036546 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.352 1.247 -0.548 0.00 0.00 +0.079 A ATOM 2 C LIG 1 1.531 2.378 -0.814 0.00 0.00 +0.142 A ATOM 3 C LIG 1 0.234 2.487 -0.282 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -0.244 1.443 0.532 0.00 0.00 +0.068 A ATOM 5 C LIG 1 0.577 0.360 0.774 0.00 0.00 +0.171 A ATOM 6 O LIG 1 -0.071 -0.525 1.574 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 -1.333 -0.040 1.871 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 -1.432 1.135 1.246 0.00 0.00 +0.188 A ATOM 9 C LIG 1 1.865 0.214 0.265 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 3.635 1.219 -1.125 0.00 0.00 -0.281 N ATOM 11 H LIG 1 3.861 2.029 -1.688 0.00 0.00 +0.155 HD BRANCH 10 14 ATOM 12 C LIG 1 5.718 -1.636 -0.438 0.00 0.00 +0.046 A ATOM 13 N LIG 1 4.641 -0.823 -0.416 0.00 0.00 -0.219 NA ATOM 14 C LIG 1 4.699 0.329 -1.103 0.00 0.00 +0.220 A ATOM 15 N LIG 1 5.774 0.705 -1.814 0.00 0.00 -0.223 NA ATOM 16 C LIG 1 6.829 -0.130 -1.821 0.00 0.00 +0.116 A ATOM 17 C LIG 1 6.857 -1.325 -1.148 0.00 0.00 +0.043 A BRANCH 12 19 ATOM 18 C LIG 1 5.046 -4.043 -0.535 0.00 0.00 +0.010 C ATOM 19 C LIG 1 5.614 -2.927 0.327 0.00 0.00 +0.052 C ENDBRANCH 12 19 ENDBRANCH 10 14 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 O LIG 1 2.115 3.330 -1.625 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 1.375 4.517 -1.881 0.00 0.00 +0.277 C ENDBRANCH 2 20 BRANCH 8 22 ATOM 22 N LIG 1 -2.558 1.948 1.272 0.00 0.00 -0.196 N ATOM 23 H LIG 1 -2.634 2.718 0.616 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 -4.047 1.465 1.871 0.00 0.00 +0.081 S ATOM 25 O LIG 1 -3.873 1.207 3.285 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -4.990 2.475 1.425 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -4.428 -0.018 0.983 0.00 0.00 +0.191 A ATOM 28 C LIG 1 -4.846 -1.178 1.640 0.00 0.00 +0.150 A ATOM 29 C LIG 1 -5.126 -2.337 0.905 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -4.960 -2.353 -0.478 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -4.551 -1.198 -1.139 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -4.316 -0.023 -0.416 0.00 0.00 +0.150 A BRANCH 28 33 ATOM 33 O LIG 1 -5.111 -1.192 2.981 0.00 0.00 -0.493 OA ATOM 34 C LIG 1 -4.122 -1.933 3.698 0.00 0.00 +0.277 C ENDBRANCH 28 33 BRANCH 32 35 ATOM 35 O LIG 1 -3.920 1.102 -1.095 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -4.998 1.634 -1.871 0.00 0.00 +0.277 C ENDBRANCH 32 35 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 9