REMARK Name = BDB028131 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.021 1.766 -0.644 0.00 0.00 +0.064 C ATOM 2 C LIG 1 2.883 0.239 -0.456 0.00 0.00 -0.039 A ATOM 3 C LIG 1 1.637 -0.396 -0.604 0.00 0.00 +0.009 A ATOM 4 C LIG 1 1.469 -1.776 -0.403 0.00 0.00 -0.027 A ATOM 5 C LIG 1 2.582 -2.574 -0.115 0.00 0.00 -0.041 A ATOM 6 C LIG 1 3.841 -1.971 -0.013 0.00 0.00 +0.004 A ATOM 7 C LIG 1 2.400 -4.046 0.147 0.00 0.00 +0.054 C ATOM 8 C LIG 1 1.104 -4.591 -0.462 0.00 0.00 +0.113 C ATOM 9 N LIG 1 -0.041 -3.751 -0.134 0.00 0.00 -0.293 N ATOM 10 C LIG 1 -1.289 -4.354 0.038 0.00 0.00 +0.247 C ATOM 11 O LIG 1 -1.484 -5.564 0.044 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -2.449 -3.455 0.214 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -2.720 -2.925 1.477 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -3.697 -1.937 1.610 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.399 -1.471 0.484 0.00 0.00 -0.044 A ATOM 16 C LIG 1 -4.153 -2.062 -0.768 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -5.414 -0.353 0.607 0.00 0.00 +0.062 C ATOM 18 C LIG 1 -4.890 0.899 1.261 0.00 0.00 -0.026 C ATOM 19 C LIG 1 -3.932 1.727 0.810 0.00 0.00 -0.027 C ATOM 20 C LIG 1 -3.145 1.588 -0.464 0.00 0.00 +0.068 C ATOM 21 C LIG 1 -2.994 2.912 -1.232 0.00 0.00 +0.235 C ATOM 22 O LIG 1 -2.185 3.893 -0.567 0.00 0.00 -0.476 OA ATOM 23 C LIG 1 -0.860 3.538 -0.583 0.00 0.00 +0.215 A ATOM 24 N LIG 1 -0.389 3.017 0.560 0.00 0.00 -0.221 NA ATOM 25 C LIG 1 0.870 2.523 0.537 0.00 0.00 +0.119 A ATOM 26 C LIG 1 -0.104 3.673 -1.733 0.00 0.00 +0.067 A ATOM 27 C LIG 1 1.183 3.146 -1.735 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -3.179 -3.052 -0.906 0.00 0.00 +0.013 A ATOM 29 C LIG 1 0.076 -2.340 -0.496 0.00 0.00 +0.143 C ATOM 30 C LIG 1 3.990 -0.587 -0.190 0.00 0.00 +0.004 A ATOM 31 C LIG 1 1.689 2.519 -0.589 0.00 0.00 -0.021 A ENDROOT BRANCH 1 33 ATOM 32 C LIG 1 4.236 3.970 -0.020 0.00 0.00 +0.020 C ATOM 33 C LIG 1 4.178 2.449 0.140 0.00 0.00 +0.106 C BRANCH 33 34 ATOM 34 C LIG 1 4.212 2.108 1.613 0.00 0.00 +0.308 C ATOM 35 O LIG 1 3.298 2.155 2.413 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 5.444 1.732 2.020 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 5.321 1.539 2.974 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 3