REMARK Name = BDB028685 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.206 -0.169 1.219 0.00 0.00 +0.192 A ATOM 2 C LIG 1 1.076 0.082 0.663 0.00 0.00 +0.106 A ATOM 3 C LIG 1 1.390 -1.099 0.019 0.00 0.00 +0.173 A ATOM 4 C LIG 1 2.571 -1.324 -0.680 0.00 0.00 +0.055 A ATOM 5 C LIG 1 3.490 -0.260 -0.719 0.00 0.00 -0.019 A ATOM 6 C LIG 1 3.194 0.958 -0.071 0.00 0.00 +0.052 A ATOM 7 O LIG 1 0.371 -1.983 0.177 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 1.990 1.153 0.632 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -0.635 -1.399 0.927 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -0.915 0.766 1.957 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -0.512 1.691 2.092 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -2.416 0.533 2.628 0.00 0.00 +0.074 S ATOM 13 O LIG 1 -2.425 -0.683 3.412 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -2.775 1.800 3.237 0.00 0.00 -0.150 OA BRANCH 12 19 ATOM 15 C LIG 1 -5.179 0.007 -0.980 0.00 0.00 +0.123 A ATOM 16 C LIG 1 -4.751 1.295 -0.601 0.00 0.00 -0.007 A ATOM 17 C LIG 1 -5.206 2.510 -1.364 0.00 0.00 +0.047 C ATOM 18 C LIG 1 -3.900 1.447 0.504 0.00 0.00 +0.035 A ATOM 19 C LIG 1 -3.472 0.323 1.215 0.00 0.00 +0.109 A ATOM 20 C LIG 1 -3.907 -0.951 0.854 0.00 0.00 +0.032 A ATOM 21 C LIG 1 -4.754 -1.107 -0.246 0.00 0.00 +0.048 A BRANCH 15 23 ATOM 22 C LIG 1 -6.468 -1.325 -2.481 0.00 0.00 +0.277 C ATOM 23 O LIG 1 -6.006 -0.044 -2.071 0.00 0.00 -0.495 OA ENDBRANCH 15 23 ENDBRANCH 12 19 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 8 24 ATOM 24 O LIG 1 1.626 2.303 1.280 0.00 0.00 -0.494 OA ATOM 25 C LIG 1 2.610 3.325 1.394 0.00 0.00 +0.277 C ENDBRANCH 8 24 BRANCH 5 26 ATOM 26 C LIG 1 4.798 -0.432 -1.461 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 N LIG 1 5.690 -1.351 -0.768 0.00 0.00 -0.267 N ATOM 28 N LIG 1 5.800 -2.629 -1.186 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 6.691 -3.161 -0.345 0.00 0.00 +0.134 A ATOM 30 C LIG 1 7.162 -2.228 0.597 0.00 0.00 +0.041 A ATOM 31 C LIG 1 6.502 -1.061 0.294 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7