REMARK Name = BDB028627 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.295 2.368 0.251 0.00 0.00 +0.192 A ATOM 2 C LIG 1 -1.504 1.748 0.655 0.00 0.00 +0.106 A ATOM 3 C LIG 1 -2.443 2.753 0.489 0.00 0.00 +0.173 A ATOM 4 C LIG 1 -3.810 2.616 0.725 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -4.248 1.368 1.194 0.00 0.00 -0.019 A ATOM 6 C LIG 1 -3.313 0.340 1.419 0.00 0.00 +0.052 A ATOM 7 O LIG 1 -1.825 3.893 0.083 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 -1.941 0.505 1.146 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -0.464 3.666 -0.021 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 0.985 1.815 0.177 0.00 0.00 -0.196 N ATOM 11 H LIG 1 1.675 2.571 0.164 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 1.299 0.881 -1.220 0.00 0.00 +0.081 S ATOM 13 O LIG 1 1.271 1.766 -2.366 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 0.456 -0.294 -1.158 0.00 0.00 -0.150 OA BRANCH 12 18 ATOM 15 C LIG 1 5.705 -0.249 -0.602 0.00 0.00 +0.127 A ATOM 16 C LIG 1 4.796 -1.212 -1.040 0.00 0.00 +0.093 A ATOM 17 C LIG 1 3.442 -0.883 -1.216 0.00 0.00 +0.154 A ATOM 18 C LIG 1 2.997 0.421 -0.988 0.00 0.00 +0.191 A ATOM 19 C LIG 1 3.922 1.397 -0.599 0.00 0.00 +0.154 A ATOM 20 C LIG 1 5.260 1.054 -0.378 0.00 0.00 +0.093 A BRANCH 15 22 ATOM 21 C LIG 1 7.545 -1.757 -0.589 0.00 0.00 +0.277 C ATOM 22 O LIG 1 7.038 -0.446 -0.373 0.00 0.00 -0.495 OA ENDBRANCH 15 22 BRANCH 17 23 ATOM 23 O LIG 1 2.615 -1.845 -1.727 0.00 0.00 -0.493 OA ATOM 24 C LIG 1 2.295 -2.827 -0.740 0.00 0.00 +0.277 C ENDBRANCH 17 23 BRANCH 19 25 ATOM 25 O LIG 1 3.514 2.689 -0.373 0.00 0.00 -0.493 OA ATOM 26 C LIG 1 4.093 3.590 -1.324 0.00 0.00 +0.277 C ENDBRANCH 19 25 ENDBRANCH 12 18 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 5 27 ATOM 27 C LIG 1 -5.713 1.141 1.492 0.00 0.00 +0.178 C BRANCH 27 28 ATOM 28 N LIG 1 -6.284 0.108 0.637 0.00 0.00 -0.267 N ATOM 29 N LIG 1 -6.518 -1.127 1.130 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 -7.043 -1.786 0.094 0.00 0.00 +0.134 A ATOM 31 C LIG 1 -7.158 -0.979 -1.053 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -6.665 0.245 -0.669 0.00 0.00 +0.108 A ENDBRANCH 27 28 ENDBRANCH 5 27 BRANCH 8 33 ATOM 33 O LIG 1 -1.020 -0.470 1.452 0.00 0.00 -0.488 OA BRANCH 33 34 ATOM 34 C LIG 1 -1.424 -1.806 1.084 0.00 0.00 +0.174 C ATOM 35 C LIG 1 -0.542 -2.902 1.622 0.00 0.00 +0.048 C ATOM 36 C LIG 1 -1.909 -2.696 2.197 0.00 0.00 +0.048 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 10