REMARK Name = BDB026998 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.575 -2.474 -0.290 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.001 -3.852 -0.587 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.228 -4.909 0.309 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.291 -6.181 0.058 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.033 -6.415 -1.097 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.248 -5.383 -2.007 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.730 -4.111 -1.759 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.459 -1.348 -0.578 0.00 0.00 +0.188 C ATOM 9 O LIG 1 0.382 -0.672 -1.610 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.678 1.594 0.959 0.00 0.00 +0.003 A ATOM 11 C LIG 1 4.357 0.570 1.778 0.00 0.00 +0.121 A ATOM 12 N LIG 1 3.284 -0.274 1.497 0.00 0.00 -0.239 N ATOM 13 C LIG 1 2.480 -0.117 0.368 0.00 0.00 +0.077 A ATOM 14 C LIG 1 1.522 -1.115 0.398 0.00 0.00 +0.064 A ATOM 15 C LIG 1 1.831 -1.830 1.574 0.00 0.00 +0.146 A ATOM 16 C LIG 1 2.790 0.961 -0.508 0.00 0.00 +0.029 A ATOM 17 N LIG 1 2.869 -1.330 2.241 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 3.829 1.770 -0.228 0.00 0.00 +0.012 A BRANCH 10 23 ATOM 19 C LIG 1 8.414 4.824 0.485 0.00 0.00 +0.172 C ATOM 20 N LIG 1 7.435 3.902 1.009 0.00 0.00 -0.274 N ATOM 21 N LIG 1 7.425 3.626 2.324 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.419 2.756 2.453 0.00 0.00 +0.143 A ATOM 23 C LIG 1 5.781 2.473 1.223 0.00 0.00 +0.021 A ATOM 24 C LIG 1 6.470 3.238 0.306 0.00 0.00 +0.116 A ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -1.813 -2.278 -1.086 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -1.523 -2.052 -2.041 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.638 -1.183 -0.564 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.875 -0.983 -1.449 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.753 0.134 -0.936 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.508 1.460 -1.322 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.301 2.498 -0.831 0.00 0.00 +0.029 A ATOM 32 C LIG 1 -6.348 2.205 0.048 0.00 0.00 +0.105 A ATOM 33 C LIG 1 -6.594 0.893 0.456 0.00 0.00 +0.029 A ATOM 34 C LIG 1 -5.796 -0.140 -0.039 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 S LIG 1 -7.350 3.528 0.671 0.00 0.00 +0.056 S ATOM 36 O LIG 1 -6.552 4.729 0.710 0.00 0.00 -0.153 OA ATOM 37 O LIG 1 -8.089 3.046 1.815 0.00 0.00 -0.153 OA BRANCH 35 38 ATOM 38 N LIG 1 -8.486 3.696 -0.562 0.00 0.00 -0.204 NA ATOM 39 H LIG 1 -8.258 3.153 -1.394 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 -9.408 3.459 -0.194 0.00 0.00 +0.144 HD ENDBRANCH 35 38 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10