REMARK Name = LIG001566 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.890 1.023 -0.040 0.00 0.00 +0.147 A ATOM 2 C LIG 1 -1.825 2.393 -0.279 0.00 0.00 +0.099 A ATOM 3 CL LIG 1 -3.180 3.443 -0.138 0.00 0.00 -0.078 Cl ATOM 4 C LIG 1 -0.598 2.886 -0.650 0.00 0.00 +0.137 A ATOM 5 N LIG 1 0.501 2.121 -0.787 0.00 0.00 -0.221 NA ATOM 6 C LIG 1 0.361 0.817 -0.530 0.00 0.00 +0.217 A ATOM 7 N LIG 1 -0.798 0.243 -0.182 0.00 0.00 -0.198 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -3.147 0.458 0.323 0.00 0.00 -0.297 N ATOM 9 H LIG 1 -3.556 1.070 1.043 0.00 0.00 +0.154 HD BRANCH 8 11 ATOM 10 C LIG 1 -4.773 -1.208 1.130 0.00 0.00 +0.110 A ATOM 11 C LIG 1 -3.545 -0.887 0.511 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -2.822 -1.961 -0.029 0.00 0.00 +0.025 A ATOM 13 C LIG 1 -3.239 -3.289 0.131 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -4.412 -3.578 0.816 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -5.187 -2.538 1.314 0.00 0.00 +0.029 A BRANCH 10 16 ATOM 16 S LIG 1 -5.853 0.082 1.726 0.00 0.00 +0.001 S ATOM 17 O LIG 1 -4.985 1.154 2.187 0.00 0.00 -0.169 OA ATOM 18 O LIG 1 -6.814 -0.521 2.631 0.00 0.00 -0.169 OA BRANCH 16 20 ATOM 19 C LIG 1 -7.563 -0.445 -0.379 0.00 0.00 +0.032 C ATOM 20 C LIG 1 -6.718 0.654 0.256 0.00 0.00 +0.130 C ATOM 21 C LIG 1 -7.588 1.860 0.605 0.00 0.00 +0.032 C ENDBRANCH 16 20 ENDBRANCH 10 16 ENDBRANCH 8 11 ENDBRANCH 1 8 BRANCH 6 22 ATOM 22 N LIG 1 1.444 -0.044 -0.625 0.00 0.00 -0.309 N ATOM 23 H LIG 1 1.044 -0.972 -0.711 0.00 0.00 +0.149 HD BRANCH 22 24 ATOM 24 C LIG 1 2.465 0.311 -1.617 0.00 0.00 +0.090 C ATOM 25 C LIG 1 3.500 1.324 -1.059 0.00 0.00 +0.130 C ATOM 26 N LIG 1 4.658 0.694 -0.414 0.00 0.00 -0.293 N ATOM 27 C LIG 1 5.770 1.505 -0.135 0.00 0.00 +0.284 C ATOM 28 O LIG 1 5.757 2.715 -0.377 0.00 0.00 -0.267 OA ATOM 29 C LIG 1 4.417 -0.619 0.169 0.00 0.00 +0.108 C ATOM 30 C LIG 1 4.010 -1.614 -0.915 0.00 0.00 +0.021 C ATOM 31 C LIG 1 3.191 -0.976 -2.048 0.00 0.00 +0.025 C BRANCH 27 32 ATOM 32 C LIG 1 7.025 0.887 0.430 0.00 0.00 +0.216 A ATOM 33 N LIG 1 7.700 1.607 1.351 0.00 0.00 -0.232 NA ATOM 34 C LIG 1 8.848 1.067 1.793 0.00 0.00 +0.115 A ATOM 35 C LIG 1 9.337 -0.142 1.355 0.00 0.00 +0.039 A ATOM 36 C LIG 1 8.575 -0.792 0.412 0.00 0.00 +0.115 A ATOM 37 N LIG 1 7.417 -0.308 -0.072 0.00 0.00 -0.232 NA ENDBRANCH 27 32 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 7