REMARK Name = BDB002608 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.793 0.950 -0.054 0.00 0.00 +0.121 A ATOM 2 C LIG 1 6.232 -0.032 -0.867 0.00 0.00 +0.061 A ATOM 3 C LIG 1 4.964 -0.566 -0.582 0.00 0.00 +0.071 A ATOM 4 C LIG 1 4.433 -1.607 -1.493 0.00 0.00 +0.345 A ATOM 5 O LIG 1 3.187 -2.125 -1.180 0.00 0.00 -0.421 OA ATOM 6 C LIG 1 2.414 -1.709 -0.070 0.00 0.00 +0.146 A ATOM 7 C LIG 1 2.901 -0.714 0.790 0.00 0.00 +0.026 A ATOM 8 C LIG 1 2.073 -0.347 1.862 0.00 0.00 +0.016 A ATOM 9 C LIG 1 0.818 -0.938 2.044 0.00 0.00 +0.047 A ATOM 10 C LIG 1 0.360 -1.904 1.151 0.00 0.00 +0.128 A ATOM 11 C LIG 1 1.167 -2.340 0.098 0.00 0.00 +0.034 A ATOM 12 C LIG 1 0.713 -3.409 -0.854 0.00 0.00 +0.051 C ATOM 13 O LIG 1 5.058 -1.991 -2.474 0.00 0.00 -0.245 OA ATOM 14 C LIG 1 4.223 -0.130 0.527 0.00 0.00 -0.000 A ATOM 15 C LIG 1 4.809 0.862 1.335 0.00 0.00 +0.013 A ATOM 16 C LIG 1 6.076 1.395 1.050 0.00 0.00 +0.046 A ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 8.649 2.377 0.364 0.00 0.00 +0.277 C ATOM 18 O LIG 1 8.028 1.383 -0.442 0.00 0.00 -0.495 OA ENDBRANCH 1 18 BRANCH 10 19 ATOM 19 O LIG 1 -0.871 -2.459 1.375 0.00 0.00 -0.482 OA BRANCH 19 20 ATOM 20 C LIG 1 -1.890 -1.763 0.656 0.00 0.00 +0.324 C BRANCH 20 21 ATOM 21 C LIG 1 -2.647 -0.704 1.479 0.00 0.00 +0.253 C ATOM 22 N LIG 1 -3.641 0.018 0.814 0.00 0.00 -0.294 N ATOM 23 C LIG 1 -3.780 0.017 -0.642 0.00 0.00 +0.143 C ATOM 24 C LIG 1 -5.053 0.640 -1.163 0.00 0.00 -0.027 A ATOM 25 C LIG 1 -6.000 1.220 -0.301 0.00 0.00 -0.041 A ATOM 26 C LIG 1 -7.178 1.769 -0.825 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -7.404 1.769 -2.201 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.462 1.212 -3.061 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.774 1.199 1.188 0.00 0.00 +0.054 C ATOM 30 C LIG 1 -5.293 0.649 -2.546 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.288 1.119 1.523 0.00 0.00 +0.113 C ATOM 32 O LIG 1 -2.397 -0.514 2.671 0.00 0.00 -0.272 OA ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 10 19 TORSDOF 4