REMARK Name = BDB056694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.146 -1.482 1.257 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.427 -1.996 1.381 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.616 -1.784 0.659 0.00 0.00 +0.062 A ATOM 4 C LIG 1 3.639 -2.555 1.188 0.00 0.00 +0.092 A ATOM 5 N LIG 1 4.897 -2.565 0.715 0.00 0.00 -0.152 NA ATOM 6 N LIG 1 5.187 -1.765 -0.340 0.00 0.00 -0.154 NA ATOM 7 C LIG 1 4.218 -0.990 -0.896 0.00 0.00 +0.070 A ATOM 8 C LIG 1 3.179 -3.403 2.348 0.00 0.00 +0.027 C ATOM 9 C LIG 1 3.251 -4.890 1.992 0.00 0.00 +0.019 C ATOM 10 C LIG 1 3.989 -3.108 3.612 0.00 0.00 +0.019 C ATOM 11 C LIG 1 2.909 -0.974 -0.415 0.00 0.00 +0.050 A ATOM 12 C LIG 1 1.717 -2.927 2.488 0.00 0.00 +0.126 C ATOM 13 O LIG 1 -0.724 -1.806 2.076 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.157 -0.529 0.088 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -0.644 0.890 -3.009 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -1.970 1.022 -2.256 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -2.906 -0.036 -2.666 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -3.857 0.240 -2.380 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -2.610 -1.300 -1.986 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.456 -1.233 -0.438 0.00 0.00 +0.088 C ATOM 21 N LIG 1 -1.580 -0.129 0.048 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -1.784 1.118 -0.719 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -3.819 -1.324 0.316 0.00 0.00 +0.128 C BRANCH 23 24 ATOM 24 N LIG 1 -4.512 -0.083 0.609 0.00 0.00 -0.292 N ATOM 25 C LIG 1 -5.319 0.606 -0.272 0.00 0.00 +0.247 C ATOM 26 O LIG 1 -5.592 0.322 -1.422 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -5.777 1.808 0.434 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -5.207 1.809 1.707 0.00 0.00 -0.018 A ATOM 29 C LIG 1 -5.469 2.844 2.587 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -6.314 3.875 2.159 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.880 3.861 0.870 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.611 2.814 -0.013 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -4.352 0.597 1.885 0.00 0.00 +0.144 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 34 ATOM 34 C LIG 1 4.629 -0.111 -2.050 0.00 0.00 +0.095 C BRANCH 34 35 ATOM 35 C LIG 1 4.868 1.323 -1.647 0.00 0.00 -0.006 A ATOM 36 C LIG 1 3.842 2.271 -1.745 0.00 0.00 +0.130 A ATOM 37 F LIG 1 2.639 1.900 -2.206 0.00 0.00 -0.205 F ATOM 38 C LIG 1 4.035 3.592 -1.363 0.00 0.00 +0.077 A ATOM 39 C LIG 1 5.274 3.971 -0.867 0.00 0.00 +0.126 A ATOM 40 F LIG 1 5.473 5.241 -0.492 0.00 0.00 -0.205 F ATOM 41 C LIG 1 6.311 3.052 -0.745 0.00 0.00 +0.039 A ATOM 42 C LIG 1 6.110 1.726 -1.131 0.00 0.00 +0.009 A ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 6