REMARK Name = BDB053993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.871 0.132 -0.380 0.00 0.00 +0.240 C ATOM 2 N LIG 1 -3.738 -0.135 0.374 0.00 0.00 -0.280 N ATOM 3 C LIG 1 -3.602 -1.232 1.356 0.00 0.00 +0.189 C ATOM 4 C LIG 1 -2.169 -1.774 1.393 0.00 0.00 +0.069 C ATOM 5 C LIG 1 -1.164 -0.674 1.588 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -1.444 0.614 1.110 0.00 0.00 -0.023 A ATOM 7 C LIG 1 -0.486 1.633 1.268 0.00 0.00 +0.051 A ATOM 8 C LIG 1 0.737 1.375 1.887 0.00 0.00 +0.121 A ATOM 9 C LIG 1 1.002 0.088 2.354 0.00 0.00 +0.046 A ATOM 10 C LIG 1 0.065 -0.934 2.201 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -2.746 0.937 0.415 0.00 0.00 +0.144 C ATOM 12 O LIG 1 -4.943 1.090 -1.148 0.00 0.00 -0.271 OA ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -6.859 -0.965 -1.280 0.00 0.00 +0.005 C ATOM 14 C LIG 1 -6.029 -0.789 -0.241 0.00 0.00 +0.067 C BRANCH 13 17 ATOM 15 C LIG 1 -10.059 -2.867 -2.233 0.00 0.00 +0.035 C ATOM 16 C LIG 1 -8.847 -1.993 -2.265 0.00 0.00 -0.030 C ATOM 17 C LIG 1 -8.024 -1.818 -1.221 0.00 0.00 -0.004 C ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 3 18 ATOM 18 C LIG 1 -4.065 -0.867 2.774 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -3.990 -1.592 3.755 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 O LIG 1 -4.645 0.345 2.885 0.00 0.00 -0.479 OA ATOM 21 H LIG 1 -4.867 0.427 3.836 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 3 18 BRANCH 8 22 ATOM 22 O LIG 1 1.743 2.272 2.106 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 1.679 3.560 1.491 0.00 0.00 +0.235 C BRANCH 23 24 ATOM 24 C LIG 1 2.080 3.534 0.014 0.00 0.00 +0.100 C BRANCH 24 25 ATOM 25 C LIG 1 3.500 3.145 -0.205 0.00 0.00 +0.086 A ATOM 26 C LIG 1 4.661 3.824 0.082 0.00 0.00 +0.126 A ATOM 27 C LIG 1 4.990 5.122 0.693 0.00 0.00 +0.088 C ATOM 28 O LIG 1 5.708 3.044 -0.310 0.00 0.00 -0.441 OA ATOM 29 C LIG 1 5.142 1.898 -0.841 0.00 0.00 +0.220 A ATOM 30 N LIG 1 3.817 1.947 -0.802 0.00 0.00 -0.214 NA BRANCH 29 31 ATOM 31 C LIG 1 5.948 0.839 -1.348 0.00 0.00 +0.063 C ATOM 32 C LIG 1 5.404 -0.282 -1.847 0.00 0.00 -0.021 C BRANCH 32 33 ATOM 33 C LIG 1 6.204 -1.431 -2.393 0.00 0.00 +0.030 C BRANCH 33 34 ATOM 34 C LIG 1 6.077 -2.748 -1.601 0.00 0.00 -0.013 C ATOM 35 C LIG 1 4.650 -3.299 -1.607 0.00 0.00 +0.007 C ATOM 36 C LIG 1 6.590 -2.610 -0.167 0.00 0.00 +0.007 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 8 22 TORSDOF 11