REMARK Name = BDB011180 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.961 3.570 -0.162 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -2.945 2.329 -0.831 0.00 0.00 +0.114 A ATOM 3 N LIG 1 -3.669 2.160 -1.959 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 -3.739 0.939 -2.522 0.00 0.00 +0.127 A ATOM 5 C LIG 1 -3.020 -0.137 -2.054 0.00 0.00 +0.082 A ATOM 6 C LIG 1 -2.138 0.040 -1.005 0.00 0.00 +0.070 A ATOM 7 N LIG 1 -1.234 -1.041 -0.764 0.00 0.00 -0.289 N ATOM 8 C LIG 1 -1.603 -2.365 -1.118 0.00 0.00 +0.337 A ATOM 9 O LIG 1 -0.812 -3.290 -0.914 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 -2.836 -2.509 -1.766 0.00 0.00 -0.228 N ATOM 11 C LIG 1 -3.209 -1.473 -2.614 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -3.665 -1.554 -3.750 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -2.185 1.262 -0.285 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.591 1.448 0.983 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -1.633 2.673 1.641 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -2.297 3.741 1.058 0.00 0.00 +0.048 A ENDROOT BRANCH 10 17 ATOM 17 C LIG 1 -3.483 -3.812 -1.861 0.00 0.00 +0.056 A ATOM 18 C LIG 1 -4.596 -4.033 -2.695 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -5.236 -5.278 -2.750 0.00 0.00 +0.043 A ATOM 20 CL LIG 1 -6.586 -5.498 -3.798 0.00 0.00 -0.083 Cl ATOM 21 C LIG 1 -4.806 -6.335 -1.961 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.737 -6.138 -1.098 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -3.097 -4.892 -1.043 0.00 0.00 +0.026 A ENDBRANCH 10 17 BRANCH 7 24 ATOM 24 C LIG 1 0.228 -0.823 -0.583 0.00 0.00 +0.095 C ATOM 25 C LIG 1 0.839 0.486 -1.103 0.00 0.00 +0.042 C ATOM 26 C LIG 1 2.356 0.400 -0.970 0.00 0.00 +0.111 C ATOM 27 N LIG 1 2.770 0.216 0.445 0.00 0.00 -0.181 NA ATOM 28 C LIG 1 1.718 -0.205 1.399 0.00 0.00 +0.111 C ATOM 29 C LIG 1 0.752 -1.223 0.807 0.00 0.00 +0.042 C BRANCH 27 30 ATOM 30 S LIG 1 4.339 -0.384 0.672 0.00 0.00 +0.036 S ATOM 31 O LIG 1 5.155 0.069 -0.433 0.00 0.00 -0.158 OA ATOM 32 O LIG 1 4.229 -1.784 1.010 0.00 0.00 -0.158 OA BRANCH 30 33 ATOM 33 C LIG 1 4.859 0.504 2.122 0.00 0.00 +0.170 C ATOM 34 C LIG 1 4.754 2.008 1.930 0.00 0.00 +0.193 C ATOM 35 S LIG 1 5.747 2.679 3.240 0.00 0.00 -0.029 S ATOM 36 O LIG 1 6.630 3.682 2.688 0.00 0.00 -0.174 OA ATOM 37 O LIG 1 4.876 2.943 4.367 0.00 0.00 -0.174 OA ATOM 38 C LIG 1 6.682 1.195 3.586 0.00 0.00 +0.168 C ATOM 39 C LIG 1 6.326 0.227 2.466 0.00 0.00 +0.052 C ENDBRANCH 30 33 ENDBRANCH 27 30 ENDBRANCH 7 24 BRANCH 1 41 ATOM 40 C LIG 1 -3.730 5.844 -0.160 0.00 0.00 +0.277 C ATOM 41 O LIG 1 -3.682 4.568 -0.781 0.00 0.00 -0.493 OA ENDBRANCH 1 41 TORSDOF 5