REMARK Name = LIG001931 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.915 0.531 0.535 0.00 0.00 -0.039 A ATOM 2 C LIG 1 -0.137 -0.337 0.855 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.779 -0.311 2.114 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.357 0.616 3.084 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -0.975 0.684 4.453 0.00 0.00 +0.044 C ATOM 6 C LIG 1 0.678 1.503 2.764 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.295 1.467 1.511 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.602 0.548 -0.832 0.00 0.00 +0.060 C BRANCH 8 15 ATOM 9 C LIG 1 5.208 1.659 -1.635 0.00 0.00 +0.147 A ATOM 10 C LIG 1 5.902 0.798 -0.780 0.00 0.00 +0.130 A ATOM 11 C LIG 1 5.279 -0.122 0.053 0.00 0.00 +0.117 A ATOM 12 N LIG 1 6.221 -0.812 0.769 0.00 0.00 -0.129 NA ATOM 13 N LIG 1 7.418 -0.359 0.418 0.00 0.00 -0.065 NA ATOM 14 C LIG 1 3.881 -0.219 0.057 0.00 0.00 +0.036 A ATOM 15 C LIG 1 3.133 0.624 -0.786 0.00 0.00 -0.034 A ATOM 16 N LIG 1 7.230 0.599 -0.507 0.00 0.00 -0.243 N ATOM 17 C LIG 1 8.362 1.274 -1.083 0.00 0.00 +0.175 C ATOM 18 C LIG 1 3.808 1.542 -1.620 0.00 0.00 +0.052 A BRANCH 9 20 ATOM 19 C LIG 1 5.207 3.540 -3.087 0.00 0.00 +0.277 C ATOM 20 O LIG 1 5.932 2.521 -2.408 0.00 0.00 -0.493 OA ENDBRANCH 9 20 ENDBRANCH 8 15 BRANCH 8 21 ATOM 21 C LIG 1 1.139 -0.462 -1.905 0.00 0.00 +0.133 C BRANCH 21 22 ATOM 22 C LIG 1 1.520 -1.907 -1.663 0.00 0.00 +0.306 C ATOM 23 O LIG 1 1.725 -2.420 -0.576 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 1.553 -2.633 -2.806 0.00 0.00 -0.481 OA ATOM 25 H LIG 1 1.345 -2.134 -3.617 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 8 21 ENDBRANCH 1 8 BRANCH 3 26 ATOM 26 C LIG 1 -1.908 -1.302 2.347 0.00 0.00 +0.145 C BRANCH 26 27 ATOM 27 N LIG 1 -3.060 -1.098 1.415 0.00 0.00 -0.169 NA ATOM 28 S LIG 1 -4.119 -2.426 1.371 0.00 0.00 +0.065 S ATOM 29 O LIG 1 -3.307 -3.625 1.316 0.00 0.00 -0.153 OA ATOM 30 O LIG 1 -5.099 -2.246 2.422 0.00 0.00 -0.153 OA ATOM 31 C LIG 1 -4.964 -2.326 -0.184 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -5.135 -1.148 -0.911 0.00 0.00 +0.147 A ATOM 33 C LIG 1 -5.709 -1.216 -2.189 0.00 0.00 +0.047 A ATOM 34 C LIG 1 -6.144 -2.430 -2.722 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.998 -3.599 -1.985 0.00 0.00 +0.002 A ATOM 36 O LIG 1 -4.783 0.120 -0.547 0.00 0.00 -0.486 OA ATOM 37 C LIG 1 -5.005 0.430 0.831 0.00 0.00 +0.186 C ATOM 38 C LIG 1 -5.448 1.891 0.892 0.00 0.00 +0.053 C ATOM 39 C LIG 1 -5.402 -3.550 -0.725 0.00 0.00 +0.032 A ATOM 40 C LIG 1 -3.696 0.245 1.606 0.00 0.00 +0.154 C ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 8