REMARK Name = BDB037151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.121 0.754 1.152 0.00 0.00 +0.263 C ATOM 2 N LIG 1 0.190 0.469 2.519 0.00 0.00 -0.181 N ATOM 3 H LIG 1 -0.372 -0.249 2.961 0.00 0.00 +0.177 HD ATOM 4 O LIG 1 0.920 1.473 0.573 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -1.865 -0.572 -1.780 0.00 0.00 +0.126 A ATOM 6 C LIG 1 -2.982 -1.147 -1.151 0.00 0.00 +0.016 A ATOM 7 C LIG 1 -3.092 -1.082 0.250 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -2.105 -0.464 1.020 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -0.984 0.092 0.398 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -0.874 0.037 -1.002 0.00 0.00 +0.059 A BRANCH 5 12 ATOM 11 C LIG 1 -0.744 -0.051 -3.826 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -1.838 -0.657 -3.147 0.00 0.00 -0.495 OA ENDBRANCH 5 12 BRANCH 6 13 ATOM 13 C LIG 1 -4.088 -1.808 -1.944 0.00 0.00 +0.182 C BRANCH 13 14 ATOM 14 N LIG 1 -5.288 -0.982 -1.967 0.00 0.00 -0.267 N ATOM 15 N LIG 1 -6.315 -1.258 -1.133 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 -7.223 -0.326 -1.437 0.00 0.00 +0.134 A ATOM 17 C LIG 1 -6.790 0.535 -2.460 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -5.533 0.084 -2.787 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 S LIG 1 1.289 1.132 3.577 0.00 0.00 +0.075 S ATOM 20 O LIG 1 1.033 0.476 4.843 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 1.253 2.573 3.470 0.00 0.00 -0.150 OA BRANCH 19 22 ATOM 22 C LIG 1 2.851 0.537 2.978 0.00 0.00 +0.109 A ATOM 23 C LIG 1 3.617 1.344 2.127 0.00 0.00 +0.036 A ATOM 24 C LIG 1 4.835 0.850 1.697 0.00 0.00 -0.001 A ATOM 25 C LIG 1 5.806 1.430 0.742 0.00 0.00 +0.080 C ATOM 26 C LIG 1 6.987 0.492 1.000 0.00 0.00 +0.234 C ATOM 27 O LIG 1 6.497 -0.747 1.570 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 5.282 -0.399 2.103 0.00 0.00 +0.124 A ATOM 29 C LIG 1 4.546 -1.205 2.949 0.00 0.00 +0.048 A ATOM 30 C LIG 1 3.315 -0.725 3.402 0.00 0.00 +0.032 A ENDBRANCH 19 22 ENDBRANCH 2 19 TORSDOF 6