REMARK Name = BDB049384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.469 -3.045 0.641 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -2.072 -3.181 0.625 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -1.296 -2.135 0.105 0.00 0.00 +0.090 A ATOM 4 N LIG 1 0.066 -2.039 -0.008 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 0.307 -0.865 -0.556 0.00 0.00 +0.111 A ATOM 6 N LIG 1 -0.875 -0.196 -0.808 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -1.917 -0.992 -0.385 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -3.308 -0.829 -0.380 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -4.071 -1.881 0.144 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -5.814 -4.826 -0.844 0.00 0.00 +0.070 C ATOM 11 C LIG 1 -5.316 -4.886 0.554 0.00 0.00 +0.088 A ATOM 12 C LIG 1 -4.293 -4.112 1.166 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -4.242 -4.583 2.461 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -3.447 -4.248 3.661 0.00 0.00 +0.090 C ATOM 15 O LIG 1 -5.162 -5.576 2.608 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 -5.843 -5.763 1.417 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 -1.024 1.126 -1.393 0.00 0.00 +0.139 C BRANCH 17 18 ATOM 18 C LIG 1 -0.992 2.225 -0.319 0.00 0.00 +0.106 C BRANCH 18 19 ATOM 19 N LIG 1 -1.082 3.578 -0.893 0.00 0.00 -0.296 NA ATOM 20 C LIG 1 -1.538 4.545 0.135 0.00 0.00 +0.112 C ATOM 21 C LIG 1 -1.177 5.990 -0.243 0.00 0.00 +0.175 C ATOM 22 O LIG 1 0.240 6.210 -0.304 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 0.979 5.027 -0.632 0.00 0.00 +0.175 C ATOM 24 C LIG 1 0.188 4.037 -1.507 0.00 0.00 +0.112 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 6 17 BRANCH 5 25 ATOM 25 C LIG 1 1.677 -0.342 -0.853 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 2.392 0.099 0.428 0.00 0.00 +0.045 C BRANCH 26 27 ATOM 27 C LIG 1 3.729 0.707 0.136 0.00 0.00 -0.022 A ATOM 28 C LIG 1 4.949 -0.003 -0.116 0.00 0.00 +0.003 A ATOM 29 C LIG 1 5.942 0.948 -0.356 0.00 0.00 +0.047 A ATOM 30 C LIG 1 7.268 0.599 -0.645 0.00 0.00 +0.026 A ATOM 31 C LIG 1 7.587 -0.764 -0.682 0.00 0.00 +0.002 A ATOM 32 C LIG 1 6.617 -1.734 -0.444 0.00 0.00 +0.001 A ATOM 33 N LIG 1 5.354 2.188 -0.245 0.00 0.00 -0.360 N ATOM 34 H LIG 1 5.844 3.064 -0.362 0.00 0.00 +0.165 HD ATOM 35 C LIG 1 5.296 -1.369 -0.163 0.00 0.00 +0.010 A ATOM 36 C LIG 1 4.025 2.057 0.060 0.00 0.00 +0.087 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 7