REMARK Name = BDB053619 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.176 -1.647 2.119 0.00 0.00 -0.001 A ATOM 2 C LIG 1 -0.188 -0.657 1.958 0.00 0.00 +0.165 A ATOM 3 C LIG 1 1.168 -1.003 1.777 0.00 0.00 +0.162 A ATOM 4 C LIG 1 1.514 -2.355 1.710 0.00 0.00 +0.049 A ATOM 5 C LIG 1 0.539 -3.344 1.852 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.792 -2.995 2.065 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.632 -1.304 2.355 0.00 0.00 +0.053 C BRANCH 7 8 ATOM 8 C LIG 1 -3.568 -1.722 1.206 0.00 0.00 +0.102 C BRANCH 8 9 ATOM 9 C LIG 1 -4.988 -1.585 1.707 0.00 0.00 +0.308 C ATOM 10 O LIG 1 -5.693 -2.502 2.098 0.00 0.00 -0.251 OA BRANCH 9 11 ATOM 11 O LIG 1 -5.441 -0.319 1.741 0.00 0.00 -0.480 OA ATOM 12 H LIG 1 -6.349 -0.401 2.103 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 13 ATOM 13 C LIG 1 -3.327 -0.919 -0.086 0.00 0.00 +0.015 C BRANCH 13 14 ATOM 14 C LIG 1 -4.154 -1.444 -1.267 0.00 0.00 +0.001 C BRANCH 14 16 ATOM 15 C LIG 1 -2.587 -0.582 -3.094 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -4.002 -0.599 -2.535 0.00 0.00 -0.003 C ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 2 17 ATOM 17 O LIG 1 -0.587 0.655 2.062 0.00 0.00 -0.488 OA BRANCH 17 18 ATOM 18 C LIG 1 -0.409 1.376 0.834 0.00 0.00 +0.234 C BRANCH 18 19 ATOM 19 C LIG 1 -1.387 2.551 0.837 0.00 0.00 +0.076 C BRANCH 19 20 ATOM 20 C LIG 1 -1.346 3.330 -0.452 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -2.313 3.115 -1.442 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -2.262 3.819 -2.646 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -1.243 4.742 -2.871 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -0.274 4.962 -1.894 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -0.325 4.259 -0.689 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 2 17 BRANCH 3 26 ATOM 26 O LIG 1 2.056 0.035 1.697 0.00 0.00 -0.488 OA BRANCH 26 27 ATOM 27 C LIG 1 3.450 -0.234 1.550 0.00 0.00 +0.234 C BRANCH 27 28 ATOM 28 C LIG 1 3.816 -0.409 0.076 0.00 0.00 +0.076 C BRANCH 28 29 ATOM 29 C LIG 1 5.289 -0.661 -0.115 0.00 0.00 -0.044 A ATOM 30 C LIG 1 5.794 -1.968 -0.098 0.00 0.00 +0.004 A ATOM 31 C LIG 1 7.161 -2.198 -0.255 0.00 0.00 +0.000 A ATOM 32 C LIG 1 8.035 -1.126 -0.425 0.00 0.00 +0.000 A ATOM 33 C LIG 1 7.543 0.178 -0.438 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.176 0.411 -0.282 0.00 0.00 +0.004 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 15