REMARK Name = LIG001484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.163 0.278 -0.884 0.00 0.00 -0.198 N ATOM 2 C LIG 1 -3.025 -0.274 -0.327 0.00 0.00 +0.278 A ATOM 3 O LIG 1 -2.956 -0.726 0.813 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 -1.851 -0.298 -1.192 0.00 0.00 +0.068 A ATOM 5 C LIG 1 -1.998 0.280 -2.442 0.00 0.00 +0.100 A ATOM 6 C LIG 1 -0.894 0.287 -3.300 0.00 0.00 +0.031 A ATOM 7 C LIG 1 0.324 -0.279 -2.908 0.00 0.00 +0.007 A ATOM 8 C LIG 1 0.459 -0.874 -1.647 0.00 0.00 -0.029 A ATOM 9 N LIG 1 -3.195 0.862 -2.871 0.00 0.00 -0.131 NA ATOM 10 C LIG 1 -0.640 -0.873 -0.780 0.00 0.00 +0.020 A ATOM 11 N LIG 1 -4.200 0.841 -2.130 0.00 0.00 -0.061 NA ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 -7.912 -0.414 3.079 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -7.137 -0.180 2.157 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -6.721 -1.177 1.310 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.068 -2.105 1.512 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -5.918 -1.066 0.196 0.00 0.00 +0.244 C ATOM 17 O LIG 1 -5.723 -2.044 -0.523 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -5.410 0.344 -0.124 0.00 0.00 +0.199 C ATOM 19 C LIG 1 -5.312 1.199 1.138 0.00 0.00 +0.046 C ATOM 20 C LIG 1 -6.660 1.218 1.842 0.00 0.00 +0.099 C ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 C LIG 1 1.776 -1.466 -1.219 0.00 0.00 +0.141 C BRANCH 21 22 ATOM 22 N LIG 1 2.645 -0.438 -0.690 0.00 0.00 -0.295 N ATOM 23 H LIG 1 2.213 0.204 -0.043 0.00 0.00 +0.151 HD ATOM 24 C LIG 1 3.954 -0.762 -0.396 0.00 0.00 +0.304 C ATOM 25 N LIG 1 4.609 0.317 0.156 0.00 0.00 -0.269 N ATOM 26 H LIG 1 4.131 1.201 0.051 0.00 0.00 +0.156 HD ATOM 27 O LIG 1 4.426 -1.865 -0.630 0.00 0.00 -0.252 OA BRANCH 25 28 ATOM 28 C LIG 1 5.926 0.358 0.655 0.00 0.00 +0.038 A ATOM 29 C LIG 1 6.729 -0.773 0.823 0.00 0.00 +0.043 A ATOM 30 C LIG 1 8.024 -0.645 1.335 0.00 0.00 +0.044 A ATOM 31 CL LIG 1 9.004 -2.046 1.538 0.00 0.00 -0.083 Cl ATOM 32 C LIG 1 8.532 0.601 1.687 0.00 0.00 +0.040 A ATOM 33 C LIG 1 7.731 1.725 1.526 0.00 0.00 +0.044 A ATOM 34 CL LIG 1 8.339 3.276 1.960 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 6.436 1.611 1.017 0.00 0.00 +0.043 A ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 4