REMARK Name = BDB017673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.489 -1.606 -0.057 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -2.358 -1.389 -1.133 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.495 -0.590 -0.969 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.808 -0.004 0.267 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -5.038 0.818 0.374 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -5.413 1.335 1.613 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -5.107 0.764 2.395 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -6.738 1.912 1.811 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -7.118 2.738 0.588 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -7.022 1.896 -0.688 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.783 1.042 -0.728 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -5.431 0.432 -2.038 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -6.111 0.617 -3.043 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -2.921 -0.210 1.333 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -4.322 -0.362 -2.073 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -4.101 -0.765 -2.973 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -1.781 -1.007 1.175 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -0.259 -2.474 -0.219 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 3.755 -1.008 -0.518 0.00 0.00 -0.311 N ATOM 20 C LIG 1 2.657 -0.017 -0.584 0.00 0.00 +0.122 C ATOM 21 C LIG 1 1.313 -0.723 -0.878 0.00 0.00 +0.103 C ATOM 22 N LIG 1 0.992 -1.776 0.117 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 2.115 -2.739 0.172 0.00 0.00 +0.103 C ATOM 24 C LIG 1 3.475 -2.067 0.475 0.00 0.00 +0.122 C BRANCH 19 28 ATOM 25 C LIG 1 7.480 0.771 -0.009 0.00 0.00 +0.234 A ATOM 26 N LIG 1 6.365 1.517 0.091 0.00 0.00 -0.110 NA ATOM 27 N LIG 1 5.133 0.923 -0.080 0.00 0.00 -0.131 NA ATOM 28 C LIG 1 5.017 -0.402 -0.329 0.00 0.00 +0.144 A ATOM 29 C LIG 1 6.175 -1.168 -0.446 0.00 0.00 +0.051 A ATOM 30 C LIG 1 7.426 -0.577 -0.280 0.00 0.00 +0.072 A BRANCH 25 32 ATOM 31 C LIG 1 8.677 2.732 0.416 0.00 0.00 +0.279 C ATOM 32 O LIG 1 8.729 1.333 0.152 0.00 0.00 -0.479 OA ENDBRANCH 25 32 ENDBRANCH 19 28 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4