REMARK Name = BDB060127 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.713 -0.634 0.346 0.00 0.00 +0.075 A ATOM 2 C LIG 1 0.777 0.201 0.997 0.00 0.00 +0.164 A ATOM 3 C LIG 1 -0.532 -0.244 1.257 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -0.918 -1.512 0.813 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.021 -2.325 0.123 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.284 -1.887 -0.107 0.00 0.00 +0.027 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 3.042 -0.199 0.166 0.00 0.00 -0.312 N ATOM 8 H LIG 1 3.297 0.541 0.815 0.00 0.00 +0.152 HD BRANCH 7 11 ATOM 9 C LIG 1 6.288 -0.388 -1.621 0.00 0.00 +0.122 A ATOM 10 C LIG 1 5.326 -0.181 -0.628 0.00 0.00 +0.068 A ATOM 11 C LIG 1 3.958 -0.385 -0.885 0.00 0.00 +0.035 A ATOM 12 C LIG 1 3.580 -0.821 -2.159 0.00 0.00 +0.023 A ATOM 13 C LIG 1 4.533 -1.028 -3.157 0.00 0.00 +0.005 A ATOM 14 C LIG 1 5.881 -0.812 -2.886 0.00 0.00 +0.046 A BRANCH 9 16 ATOM 15 C LIG 1 8.108 0.204 -0.209 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.638 -0.219 -1.483 0.00 0.00 -0.495 OA ENDBRANCH 9 16 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 2 17 ATOM 17 O LIG 1 1.179 1.433 1.463 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 1.311 2.374 0.389 0.00 0.00 +0.277 C ENDBRANCH 2 17 BRANCH 3 19 ATOM 19 N LIG 1 -1.516 0.542 1.958 0.00 0.00 -0.189 N BRANCH 19 20 ATOM 20 S LIG 1 -2.534 1.555 1.041 0.00 0.00 +0.076 S ATOM 21 O LIG 1 -1.734 2.361 0.147 0.00 0.00 -0.150 OA ATOM 22 O LIG 1 -3.461 2.198 1.953 0.00 0.00 -0.150 OA BRANCH 20 23 ATOM 23 C LIG 1 -3.504 0.370 0.064 0.00 0.00 +0.115 A ATOM 24 C LIG 1 -3.253 0.180 -1.319 0.00 0.00 -0.023 A ATOM 25 C LIG 1 -2.175 0.885 -2.099 0.00 0.00 +0.046 C ATOM 26 C LIG 1 -4.059 -0.725 -2.039 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -5.097 -1.430 -1.429 0.00 0.00 -0.050 A ATOM 28 C LIG 1 -5.921 -2.405 -2.216 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -5.320 -1.253 -0.064 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.539 -0.366 0.701 0.00 0.00 -0.023 A ATOM 31 C LIG 1 -4.888 -0.246 2.162 0.00 0.00 +0.046 C ENDBRANCH 20 23 ENDBRANCH 19 20 BRANCH 19 32 ATOM 32 C LIG 1 -1.182 0.995 3.330 0.00 0.00 +0.251 C BRANCH 32 33 ATOM 33 C LIG 1 -0.945 2.464 3.591 0.00 0.00 +0.324 C ATOM 34 O LIG 1 -0.723 3.362 2.799 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 O LIG 1 -0.967 2.748 4.916 0.00 0.00 -0.479 OA ATOM 36 H LIG 1 -0.824 3.719 4.934 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 19 32 ENDBRANCH 3 19 TORSDOF 10