REMARK Name = BDB010757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.521 -0.399 0.193 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.189 -0.808 0.175 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.268 -1.681 1.148 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.543 -2.081 0.907 0.00 0.00 -0.191 NA ATOM 5 C LIG 1 -1.901 -1.462 -0.208 0.00 0.00 +0.259 A ATOM 6 N LIG 1 0.465 -2.125 2.179 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.710 -1.630 2.159 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.932 -0.547 -0.589 0.00 0.00 -0.304 N ATOM 9 N LIG 1 2.260 -0.819 1.237 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 2.578 -2.060 3.277 0.00 0.00 +0.220 A ATOM 11 N LIG 1 2.079 -2.875 4.222 0.00 0.00 -0.269 N ATOM 12 H LIG 1 1.147 -3.252 4.271 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.064 -3.104 5.099 0.00 0.00 +0.440 A ATOM 14 O LIG 1 2.988 -3.803 6.096 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.181 -2.419 4.687 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.817 -1.742 3.478 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 S LIG 1 -3.399 -1.821 -1.092 0.00 0.00 +0.058 S ATOM 18 O LIG 1 -4.312 -0.743 -0.772 0.00 0.00 -0.161 OA ATOM 19 O LIG 1 -2.965 -2.069 -2.455 0.00 0.00 -0.161 OA BRANCH 17 20 ATOM 20 C LIG 1 -4.050 -3.325 -0.421 0.00 0.00 +0.097 A ATOM 21 C LIG 1 -4.724 -3.291 0.804 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -5.259 -4.468 1.325 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -5.129 -5.667 0.621 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.466 -5.693 -0.608 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -3.928 -4.520 -1.136 0.00 0.00 +0.027 A ENDBRANCH 17 20 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 N LIG 1 2.087 0.381 -0.811 0.00 0.00 -0.324 N ATOM 27 H LIG 1 1.834 0.016 -1.723 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 3.700 1.888 0.248 0.00 0.00 +0.028 C ATOM 29 C LIG 1 3.520 0.696 -0.699 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 4.064 1.081 -2.090 0.00 0.00 +0.009 C ATOM 31 C LIG 1 4.152 -0.067 -3.139 0.00 0.00 +0.005 C ATOM 32 C LIG 1 5.628 -0.247 -2.744 0.00 0.00 +0.001 C ATOM 33 C LIG 1 5.608 1.206 -2.239 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 -1.065 0.467 -1.622 0.00 0.00 +0.129 C BRANCH 34 35 ATOM 35 C LIG 1 -1.409 1.908 -1.166 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.316 2.570 -0.315 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -0.673 4.006 0.068 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -2.023 4.077 0.787 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -2.377 5.523 1.130 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -3.120 3.440 -0.072 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.771 2.005 -0.467 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8