REMARK Name = BDB018169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.666 1.945 -0.807 0.00 0.00 +0.252 C ATOM 2 C LIG 1 -1.328 2.684 -0.937 0.00 0.00 +0.198 C ATOM 3 C LIG 1 -0.794 2.037 -2.223 0.00 0.00 +0.122 C ATOM 4 C LIG 1 0.679 2.328 -2.477 0.00 0.00 +0.047 C ATOM 5 C LIG 1 -1.202 0.560 -2.005 0.00 0.00 +0.192 C ATOM 6 O LIG 1 -2.462 0.594 -1.281 0.00 0.00 -0.344 OA ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -3.864 1.120 5.230 0.00 0.00 +0.066 C ATOM 8 C LIG 1 -3.034 1.084 3.983 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -3.479 1.529 2.729 0.00 0.00 +0.040 A ATOM 10 C LIG 1 -4.675 2.099 2.217 0.00 0.00 +0.031 A ATOM 11 C LIG 1 -4.489 2.317 0.870 0.00 0.00 +0.091 A ATOM 12 N LIG 1 -3.221 1.893 0.539 0.00 0.00 -0.303 N ATOM 13 C LIG 1 -2.592 1.413 1.664 0.00 0.00 +0.146 A ATOM 14 N LIG 1 -1.341 0.921 1.722 0.00 0.00 -0.218 NA ATOM 15 C LIG 1 -1.019 0.519 2.962 0.00 0.00 +0.223 A ATOM 16 N LIG 1 -1.776 0.574 4.076 0.00 0.00 -0.240 NA ENDBRANCH 1 12 BRANCH 2 17 ATOM 17 O LIG 1 -1.444 4.102 -1.019 0.00 0.00 -0.384 OA ATOM 18 H LIG 1 -1.810 4.414 -0.173 0.00 0.00 +0.210 HD ENDBRANCH 2 17 BRANCH 3 19 ATOM 19 O LIG 1 -1.545 2.546 -3.348 0.00 0.00 -0.383 OA ATOM 20 H LIG 1 -1.103 2.258 -4.166 0.00 0.00 +0.210 HD ENDBRANCH 3 19 BRANCH 5 21 ATOM 21 C LIG 1 -0.206 -0.286 -1.200 0.00 0.00 +0.263 C BRANCH 21 22 ATOM 22 O LIG 1 0.782 -0.800 -2.096 0.00 0.00 -0.489 OA BRANCH 22 23 ATOM 23 C LIG 1 1.795 -1.554 -1.557 0.00 0.00 +0.125 A ATOM 24 C LIG 1 2.077 -1.732 -0.246 0.00 0.00 +0.092 A ATOM 25 C LIG 1 3.190 -2.534 0.142 0.00 0.00 +0.141 A ATOM 26 N LIG 1 3.922 -3.153 -0.867 0.00 0.00 -0.304 N ATOM 27 C LIG 1 4.914 -3.882 -0.243 0.00 0.00 +0.040 A ATOM 28 C LIG 1 4.756 -3.623 1.101 0.00 0.00 +0.134 A ATOM 29 C LIG 1 5.886 -4.752 -0.945 0.00 0.00 +0.065 C ATOM 30 C LIG 1 3.630 -2.993 -2.222 0.00 0.00 +0.096 A ATOM 31 N LIG 1 3.692 -2.792 1.332 0.00 0.00 -0.236 NA ATOM 32 C LIG 1 2.603 -2.205 -2.582 0.00 0.00 +0.064 A ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 6