REMARK Name = LIG000345 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.739 -1.374 0.908 0.00 0.00 +0.147 A ATOM 2 C LIG 1 1.361 -1.558 2.234 0.00 0.00 +0.099 A ATOM 3 CL LIG 1 2.441 -1.379 3.560 0.00 0.00 -0.078 Cl ATOM 4 C LIG 1 0.046 -1.897 2.449 0.00 0.00 +0.137 A ATOM 5 N LIG 1 -0.854 -2.050 1.460 0.00 0.00 -0.221 NA ATOM 6 C LIG 1 -0.413 -1.856 0.213 0.00 0.00 +0.217 A ATOM 7 N LIG 1 0.844 -1.513 -0.093 0.00 0.00 -0.198 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 3.085 -0.999 0.634 0.00 0.00 -0.297 N ATOM 9 H LIG 1 3.691 -1.608 1.202 0.00 0.00 +0.154 HD BRANCH 8 11 ATOM 10 C LIG 1 5.130 -0.552 -0.666 0.00 0.00 +0.110 A ATOM 11 C LIG 1 3.723 -0.627 -0.574 0.00 0.00 +0.058 A ATOM 12 C LIG 1 3.001 -0.177 -1.689 0.00 0.00 +0.025 A ATOM 13 C LIG 1 3.638 0.223 -2.871 0.00 0.00 +0.002 A ATOM 14 C LIG 1 5.025 0.208 -2.960 0.00 0.00 +0.002 A ATOM 15 C LIG 1 5.777 -0.174 -1.855 0.00 0.00 +0.029 A BRANCH 10 16 ATOM 16 S LIG 1 6.155 -0.954 0.738 0.00 0.00 +0.001 S ATOM 17 O LIG 1 5.460 -2.011 1.455 0.00 0.00 -0.169 OA ATOM 18 O LIG 1 7.509 -1.164 0.260 0.00 0.00 -0.169 OA BRANCH 16 20 ATOM 19 C LIG 1 6.856 0.274 3.068 0.00 0.00 +0.032 C ATOM 20 C LIG 1 6.120 0.531 1.754 0.00 0.00 +0.130 C ATOM 21 C LIG 1 6.719 1.734 1.036 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 -1.272 -1.991 -0.863 0.00 0.00 -0.309 N ATOM 23 H LIG 1 -0.810 -1.567 -1.661 0.00 0.00 +0.149 HD BRANCH 22 24 ATOM 24 C LIG 1 -2.662 -1.603 -0.641 0.00 0.00 +0.090 C ATOM 25 C LIG 1 -2.819 -0.077 -0.463 0.00 0.00 +0.130 C ATOM 26 N LIG 1 -4.219 0.358 -0.445 0.00 0.00 -0.296 N ATOM 27 C LIG 1 -4.465 1.602 0.150 0.00 0.00 +0.247 C ATOM 28 O LIG 1 -3.579 2.333 0.586 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -5.036 -0.120 -1.564 0.00 0.00 +0.108 C ATOM 30 C LIG 1 -4.938 -1.632 -1.726 0.00 0.00 +0.021 C ATOM 31 C LIG 1 -3.485 -2.080 -1.848 0.00 0.00 +0.025 C BRANCH 27 32 ATOM 32 C LIG 1 -5.864 2.059 0.299 0.00 0.00 +0.040 A ATOM 33 C LIG 1 -6.183 3.372 -0.039 0.00 0.00 +0.033 A ATOM 34 C LIG 1 -7.492 3.778 0.139 0.00 0.00 +0.111 A ATOM 35 N LIG 1 -8.465 2.977 0.627 0.00 0.00 -0.263 NA ATOM 36 C LIG 1 -8.114 1.721 0.978 0.00 0.00 +0.111 A ATOM 37 C LIG 1 -6.834 1.216 0.840 0.00 0.00 +0.033 A ENDBRANCH 27 32 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 7