REMARK Name = BDB028677 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.832 -0.390 0.506 0.00 0.00 +0.135 A ATOM 2 C LIG 1 -0.547 0.434 1.608 0.00 0.00 +0.106 A ATOM 3 C LIG 1 -1.610 0.861 2.385 0.00 0.00 +0.173 A ATOM 4 O LIG 1 -1.156 1.708 3.347 0.00 0.00 -0.353 OA ATOM 5 N LIG 1 0.217 1.851 3.224 0.00 0.00 -0.060 NA ATOM 6 C LIG 1 -2.937 0.481 2.189 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -3.198 -0.402 1.125 0.00 0.00 -0.019 A ATOM 8 C LIG 1 0.574 1.038 2.226 0.00 0.00 +0.192 A ATOM 9 C LIG 1 -2.149 -0.826 0.292 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 0.312 0.133 -1.411 0.00 0.00 +0.277 C ATOM 11 O LIG 1 0.146 -0.823 -0.361 0.00 0.00 -0.494 OA ENDBRANCH 1 11 BRANCH 8 12 ATOM 12 N LIG 1 1.920 0.933 1.872 0.00 0.00 -0.196 N ATOM 13 H LIG 1 2.468 1.643 2.369 0.00 0.00 +0.175 HD BRANCH 12 14 ATOM 14 S LIG 1 2.692 -0.552 2.127 0.00 0.00 +0.075 S ATOM 15 O LIG 1 1.718 -1.569 2.460 0.00 0.00 -0.150 OA ATOM 16 O LIG 1 3.826 -0.299 2.989 0.00 0.00 -0.150 OA BRANCH 14 17 ATOM 17 C LIG 1 3.365 -0.935 0.523 0.00 0.00 +0.126 A ATOM 18 C LIG 1 4.226 -0.039 -0.133 0.00 0.00 +0.081 A ATOM 19 C LIG 1 4.761 -0.394 -1.392 0.00 0.00 -0.031 A ATOM 20 C LIG 1 5.689 0.526 -2.143 0.00 0.00 +0.045 C ATOM 21 C LIG 1 4.428 -1.636 -1.957 0.00 0.00 +0.005 A ATOM 22 C LIG 1 3.577 -2.518 -1.292 0.00 0.00 +0.002 A ATOM 23 C LIG 1 3.047 -2.172 -0.052 0.00 0.00 +0.030 A BRANCH 18 24 ATOM 24 C LIG 1 4.550 1.236 0.444 0.00 0.00 +0.101 C ATOM 25 N LIG 1 4.762 2.280 0.904 0.00 0.00 -0.191 NA ENDBRANCH 18 24 ENDBRANCH 14 17 ENDBRANCH 12 14 ENDBRANCH 8 12 BRANCH 7 26 ATOM 26 C LIG 1 -4.614 -0.864 0.865 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 N LIG 1 -5.379 0.148 0.151 0.00 0.00 -0.267 N ATOM 28 N LIG 1 -6.153 1.018 0.833 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 -6.705 1.767 -0.124 0.00 0.00 +0.134 A ATOM 30 C LIG 1 -6.302 1.375 -1.413 0.00 0.00 +0.041 A ATOM 31 C LIG 1 -5.447 0.318 -1.204 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 7