REMARK Name = BDB039132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.901 1.984 1.095 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.866 2.107 0.186 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.749 1.178 0.315 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.538 1.530 -0.510 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.531 2.634 -1.396 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.387 2.949 -2.143 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -1.226 2.176 -2.061 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -1.251 1.076 -1.196 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.310 0.118 -0.862 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -0.892 -0.760 0.034 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -2.126 -0.374 0.307 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -4.750 3.517 -1.494 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -2.367 0.748 -0.439 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -6.023 2.772 -1.102 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -6.869 1.253 2.078 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.294 -2.002 0.646 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -0.120 -3.141 -0.370 0.00 0.00 +0.026 C ATOM 18 C LIG 1 0.395 -4.432 0.285 0.00 0.00 +0.098 C ATOM 19 C LIG 1 1.632 -4.170 1.158 0.00 0.00 +0.015 C ATOM 20 C LIG 1 1.456 -3.017 2.146 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.981 -1.744 1.450 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -0.744 -5.159 0.979 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -1.796 -5.487 0.450 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -0.527 -5.456 2.272 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -1.356 -5.899 2.553 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 -9.056 2.674 1.703 0.00 0.00 +0.282 C ATOM 27 O LIG 1 -7.970 2.768 0.781 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 1.032 0.090 -1.417 0.00 0.00 +0.124 C BRANCH 28 29 ATOM 29 C LIG 1 1.972 1.094 -0.740 0.00 0.00 +0.025 C BRANCH 29 30 ATOM 30 C LIG 1 3.372 1.146 -1.386 0.00 0.00 -0.009 C ATOM 31 C LIG 1 4.061 -0.233 -1.375 0.00 0.00 +0.006 C ATOM 32 C LIG 1 5.582 -0.111 -1.416 0.00 0.00 +0.032 C ATOM 33 C LIG 1 6.120 0.614 -0.171 0.00 0.00 +0.118 C ATOM 34 C LIG 1 5.125 1.647 0.380 0.00 0.00 +0.032 C ATOM 35 C LIG 1 4.243 2.230 -0.716 0.00 0.00 +0.006 C BRANCH 33 36 ATOM 36 O LIG 1 6.368 -0.323 0.884 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 7.655 -0.923 0.809 0.00 0.00 +0.194 C ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 9 28 TORSDOF 8