REMARK Name = BDB056223 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.296 -0.533 -0.878 0.00 0.00 +0.230 C ATOM 2 N LIG 1 -2.074 0.572 -1.228 0.00 0.00 -0.293 N ATOM 3 O LIG 1 -1.633 -1.661 -1.253 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 -0.053 -0.271 0.003 0.00 0.00 +0.180 C BRANCH 4 8 ATOM 5 C LIG 1 3.633 -0.878 -0.183 0.00 0.00 +0.063 C ATOM 6 C LIG 1 2.871 -0.427 1.065 0.00 0.00 +0.027 C ATOM 7 C LIG 1 1.682 -1.345 1.347 0.00 0.00 +0.085 C ATOM 8 N LIG 1 0.760 -1.489 0.215 0.00 0.00 -0.294 NA ATOM 9 C LIG 1 1.475 -1.926 -0.993 0.00 0.00 +0.085 C ATOM 10 C LIG 1 2.667 -1.040 -1.365 0.00 0.00 +0.027 C BRANCH 5 11 ATOM 11 C LIG 1 4.722 0.138 -0.516 0.00 0.00 +0.166 C ATOM 12 O LIG 1 4.494 1.106 -1.242 0.00 0.00 -0.292 OA BRANCH 11 16 ATOM 13 C LIG 1 8.715 -0.203 1.084 0.00 0.00 +0.120 A ATOM 14 C LIG 1 7.707 -1.050 1.550 0.00 0.00 +0.046 A ATOM 15 C LIG 1 6.403 -0.962 1.049 0.00 0.00 +0.015 A ATOM 16 C LIG 1 6.093 -0.017 0.066 0.00 0.00 +0.018 A ATOM 17 C LIG 1 7.106 0.835 -0.396 0.00 0.00 +0.015 A ATOM 18 C LIG 1 8.409 0.743 0.107 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 11.001 0.436 1.217 0.00 0.00 +0.277 C ATOM 20 O LIG 1 9.939 -0.400 1.660 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 5 11 ENDBRANCH 4 8 ENDBRANCH 1 4 BRANCH 2 21 ATOM 21 C LIG 1 -1.961 1.886 -0.599 0.00 0.00 +0.111 C BRANCH 21 22 ATOM 22 C LIG 1 -2.780 1.958 0.655 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -4.111 2.666 0.677 0.00 0.00 +0.005 C ATOM 24 C LIG 1 -2.928 3.279 1.368 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 2 21 BRANCH 2 25 ATOM 25 C LIG 1 -3.214 0.349 -2.124 0.00 0.00 +0.182 C BRANCH 25 26 ATOM 26 C LIG 1 -4.452 -0.148 -1.387 0.00 0.00 +0.127 A ATOM 27 N LIG 1 -4.345 -1.378 -0.795 0.00 0.00 -0.309 N ATOM 28 H LIG 1 -3.468 -1.893 -0.857 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 -5.365 -1.949 -0.095 0.00 0.00 +0.257 A ATOM 30 O LIG 1 -5.280 -3.049 0.438 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 -6.596 -1.142 -0.030 0.00 0.00 +0.064 A ATOM 32 C LIG 1 -7.756 -1.686 0.736 0.00 0.00 +0.202 C ATOM 33 O LIG 1 -8.768 -0.691 0.967 0.00 0.00 -0.375 OA ATOM 34 C LIG 1 -9.065 0.049 -0.219 0.00 0.00 +0.166 C ATOM 35 C LIG 1 -7.853 0.882 -0.633 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -6.602 0.043 -0.660 0.00 0.00 +0.056 A ATOM 37 N LIG 1 -5.535 0.564 -1.354 0.00 0.00 -0.237 NA ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 9