REMARK Name = LIG001784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.744 -1.293 -0.012 0.00 0.00 +0.027 C ATOM 2 C LIG 1 0.100 -2.594 -0.538 0.00 0.00 +0.006 C ATOM 3 C LIG 1 0.382 -3.959 0.243 0.00 0.00 -0.029 C ATOM 4 C LIG 1 -0.708 -3.395 1.234 0.00 0.00 -0.004 C ATOM 5 C LIG 1 -0.216 -2.330 2.225 0.00 0.00 +0.009 C ATOM 6 C LIG 1 1.742 -4.252 0.879 0.00 0.00 +0.011 C ATOM 7 C LIG 1 -0.024 -5.218 -0.554 0.00 0.00 +0.011 C ATOM 8 C LIG 1 -1.371 -2.740 -0.004 0.00 0.00 +0.009 C ATOM 9 C LIG 1 0.472 -1.131 1.520 0.00 0.00 +0.016 C ATOM 10 C LIG 1 -0.378 0.147 1.653 0.00 0.00 +0.113 C ATOM 11 N LIG 1 -0.101 0.899 0.427 0.00 0.00 -0.176 NA ATOM 12 C LIG 1 0.065 -0.063 -0.672 0.00 0.00 +0.120 C ENDROOT BRANCH 11 13 ATOM 13 S LIG 1 -0.916 2.345 0.143 0.00 0.00 +0.061 S ATOM 14 O LIG 1 -0.414 2.901 -1.096 0.00 0.00 -0.153 OA ATOM 15 O LIG 1 -0.891 3.116 1.369 0.00 0.00 -0.153 OA BRANCH 13 16 ATOM 16 C LIG 1 -2.598 1.839 -0.138 0.00 0.00 +0.105 A ATOM 17 C LIG 1 -3.035 1.574 -1.435 0.00 0.00 +0.029 A ATOM 18 C LIG 1 -4.361 1.189 -1.650 0.00 0.00 +0.006 A ATOM 19 C LIG 1 -5.280 1.078 -0.586 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -4.816 1.384 0.706 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -3.490 1.770 0.931 0.00 0.00 +0.029 A BRANCH 19 22 ATOM 22 C LIG 1 -6.732 0.650 -0.866 0.00 0.00 -0.013 C ATOM 23 C LIG 1 -6.743 -0.745 -1.529 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -7.613 0.559 0.401 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -7.400 1.668 -1.815 0.00 0.00 +0.015 C ENDBRANCH 19 22 ENDBRANCH 13 16 ENDBRANCH 11 13 BRANCH 1 26 ATOM 26 C LIG 1 2.249 -1.254 -0.364 0.00 0.00 +0.242 C BRANCH 26 27 ATOM 27 O LIG 1 2.809 0.016 0.002 0.00 0.00 -0.450 OA BRANCH 27 30 ATOM 28 N LIG 1 4.476 1.447 0.064 0.00 0.00 -0.251 N ATOM 29 H LIG 1 3.703 1.988 0.428 0.00 0.00 +0.158 HD ATOM 30 C LIG 1 4.126 0.177 -0.291 0.00 0.00 +0.405 C ATOM 31 O LIG 1 4.821 -0.695 -0.788 0.00 0.00 -0.226 OA BRANCH 28 36 ATOM 32 C LIG 1 9.480 4.201 -0.256 0.00 0.00 +0.044 C ATOM 33 C LIG 1 8.171 3.472 -0.205 0.00 0.00 -0.050 A ATOM 34 C LIG 1 8.087 2.134 -0.602 0.00 0.00 +0.005 A ATOM 35 C LIG 1 6.873 1.440 -0.527 0.00 0.00 +0.023 A ATOM 36 C LIG 1 5.728 2.073 -0.044 0.00 0.00 +0.036 A ATOM 37 C LIG 1 5.814 3.407 0.369 0.00 0.00 +0.023 A ATOM 38 C LIG 1 7.027 4.100 0.294 0.00 0.00 +0.005 A ENDBRANCH 28 36 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 7