REMARK Name = BDB020652 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.722 -0.168 -0.713 0.00 0.00 +0.110 A ATOM 2 N LIG 1 -1.703 0.868 -0.748 0.00 0.00 -0.304 N ATOM 3 C LIG 1 -1.389 2.228 -0.738 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -2.559 2.958 -0.783 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -3.628 2.035 -0.813 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -0.018 2.592 -0.683 0.00 0.00 +0.039 A ATOM 7 C LIG 1 0.921 1.629 -0.633 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -3.080 0.771 -0.791 0.00 0.00 +0.103 A ATOM 9 C LIG 1 0.586 0.199 -0.659 0.00 0.00 +0.000 A ATOM 10 C LIG 1 1.729 -0.780 -0.637 0.00 0.00 +0.048 C ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.045 2.370 -0.856 0.00 0.00 +0.090 A ATOM 12 N LIG 1 -5.996 1.377 -0.854 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 -7.151 2.003 -0.896 0.00 0.00 +0.199 A ATOM 14 N LIG 1 -6.980 3.357 -0.926 0.00 0.00 -0.339 N ATOM 15 C LIG 1 -8.036 4.334 -0.978 0.00 0.00 +0.150 C ATOM 16 C LIG 1 -5.639 3.612 -0.900 0.00 0.00 +0.115 A ENDBRANCH 5 11 BRANCH 7 17 ATOM 17 C LIG 1 2.321 2.119 -0.526 0.00 0.00 +0.245 C ATOM 18 N LIG 1 2.838 1.983 0.736 0.00 0.00 -0.307 N ATOM 19 H LIG 1 2.289 1.521 1.452 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 2.916 2.597 -1.483 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 4.227 2.241 1.038 0.00 0.00 +0.145 C BRANCH 21 22 ATOM 22 C LIG 1 4.988 0.949 0.978 0.00 0.00 +0.037 A ATOM 23 C LIG 1 4.782 0.050 2.163 0.00 0.00 +0.254 A ATOM 24 O LIG 1 4.016 0.343 3.077 0.00 0.00 -0.268 OA ATOM 25 N LIG 1 5.479 -1.130 2.171 0.00 0.00 -0.326 N ATOM 26 H LIG 1 5.325 -1.719 2.979 0.00 0.00 +0.169 HD ATOM 27 C LIG 1 6.330 -1.536 1.173 0.00 0.00 +0.016 A ATOM 28 C LIG 1 7.005 -2.861 1.347 0.00 0.00 +0.063 C ATOM 29 C LIG 1 6.511 -0.741 0.109 0.00 0.00 +0.024 A ATOM 30 C LIG 1 5.828 0.542 -0.000 0.00 0.00 -0.039 A ATOM 31 C LIG 1 6.139 1.304 -1.259 0.00 0.00 +0.044 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 7 17 BRANCH 1 32 ATOM 32 N LIG 1 -1.127 -1.516 -0.752 0.00 0.00 -0.313 N BRANCH 32 33 ATOM 33 C LIG 1 -1.806 -2.198 0.388 0.00 0.00 +0.079 C ATOM 34 C LIG 1 -1.210 -3.606 0.596 0.00 0.00 +0.050 C ATOM 35 C LIG 1 -1.305 -4.079 2.040 0.00 0.00 +0.161 C ATOM 36 O LIG 1 -2.495 -3.583 2.634 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 -2.457 -2.168 2.820 0.00 0.00 +0.161 C ATOM 38 C LIG 1 -1.709 -1.429 1.712 0.00 0.00 +0.050 C ENDBRANCH 32 33 BRANCH 32 40 ATOM 39 C LIG 1 -2.516 -2.086 -2.754 0.00 0.00 +0.024 C ATOM 40 C LIG 1 -1.166 -2.200 -2.066 0.00 0.00 +0.103 C ENDBRANCH 32 40 ENDBRANCH 1 32 TORSDOF 7