REMARK Name = BDB015335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 0.107 -3.143 0.305 0.00 0.00 +0.077 S ATOM 2 O LIG 1 0.878 -2.938 1.512 0.00 0.00 -0.150 OA ATOM 3 O LIG 1 -0.310 -4.484 -0.062 0.00 0.00 -0.150 OA ENDROOT BRANCH 1 7 ATOM 4 C LIG 1 -3.690 -0.593 0.719 0.00 0.00 -0.018 A ATOM 5 C LIG 1 -3.727 -1.831 0.054 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -2.576 -2.614 -0.078 0.00 0.00 +0.029 A ATOM 7 C LIG 1 -1.367 -2.151 0.446 0.00 0.00 +0.109 A ATOM 8 C LIG 1 -1.310 -0.935 1.129 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -2.465 -0.161 1.257 0.00 0.00 +0.010 A BRANCH 4 12 ATOM 10 C LIG 1 -6.782 1.419 -0.155 0.00 0.00 +0.121 A ATOM 11 C LIG 1 -5.628 0.640 -0.280 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -4.905 0.227 0.856 0.00 0.00 -0.014 A ATOM 13 C LIG 1 -5.371 0.614 2.122 0.00 0.00 +0.009 A ATOM 14 C LIG 1 -6.524 1.389 2.253 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -7.224 1.788 1.117 0.00 0.00 +0.045 A BRANCH 10 17 ATOM 16 C LIG 1 -7.143 1.549 -2.502 0.00 0.00 +0.277 C ATOM 17 O LIG 1 -7.559 1.878 -1.183 0.00 0.00 -0.495 OA ENDBRANCH 10 17 ENDBRANCH 4 12 ENDBRANCH 1 7 BRANCH 1 18 ATOM 18 N LIG 1 0.882 -2.461 -1.034 0.00 0.00 -0.172 N ATOM 19 C LIG 1 1.325 -1.126 -1.117 0.00 0.00 +0.201 C ATOM 20 N LIG 1 1.018 -0.523 -2.222 0.00 0.00 -0.253 NA ATOM 21 C LIG 1 0.240 -1.482 -3.037 0.00 0.00 +0.166 C ATOM 22 C LIG 1 0.326 -2.838 -2.346 0.00 0.00 +0.158 C BRANCH 19 23 ATOM 23 N LIG 1 2.035 -0.577 -0.086 0.00 0.00 -0.300 N ATOM 24 C LIG 1 2.265 0.882 -0.121 0.00 0.00 +0.123 C ATOM 25 C LIG 1 3.183 1.345 1.027 0.00 0.00 +0.103 C ATOM 26 N LIG 1 4.526 0.716 1.038 0.00 0.00 -0.296 NA ATOM 27 C LIG 1 4.474 -0.631 0.413 0.00 0.00 +0.103 C ATOM 28 C LIG 1 3.113 -1.338 0.581 0.00 0.00 +0.123 C BRANCH 26 29 ATOM 29 C LIG 1 5.492 1.555 0.312 0.00 0.00 +0.057 C ATOM 30 C LIG 1 5.887 2.778 1.184 0.00 0.00 +0.019 C ATOM 31 C LIG 1 7.342 2.520 0.739 0.00 0.00 +0.003 C ATOM 32 C LIG 1 6.937 1.042 0.560 0.00 0.00 +0.019 C ENDBRANCH 26 29 ENDBRANCH 19 23 ENDBRANCH 1 18 TORSDOF 6