REMARK Name = LIG000810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.729 -0.676 -0.353 0.00 0.00 -0.299 N ATOM 2 H LIG 1 -0.642 0.254 -0.763 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.692 -1.437 -1.043 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -3.040 -1.142 -0.897 0.00 0.00 +0.003 A ATOM 5 C LIG 1 -3.701 -0.130 -0.020 0.00 0.00 +0.146 C ATOM 6 N LIG 1 -5.119 -0.371 -0.261 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -5.325 -1.312 -1.258 0.00 0.00 +0.248 C ATOM 8 O LIG 1 -6.379 -1.659 -1.753 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -4.006 -1.835 -1.627 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.693 -2.826 -2.536 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -2.343 -3.120 -2.714 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -1.356 -2.427 -1.983 0.00 0.00 +0.023 A BRANCH 6 13 ATOM 13 C LIG 1 -6.173 0.538 0.174 0.00 0.00 +0.163 C ATOM 14 C LIG 1 -6.121 1.885 -0.567 0.00 0.00 +0.240 C ATOM 15 O LIG 1 -5.424 2.110 -1.554 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -6.919 2.874 -0.040 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -6.866 3.762 -0.522 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -7.324 2.962 1.268 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -7.687 4.031 1.748 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -7.316 1.678 2.065 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -6.137 0.798 1.677 0.00 0.00 +0.041 C ENDBRANCH 6 13 ENDBRANCH 1 3 BRANCH 1 24 ATOM 22 C LIG 1 2.799 -0.467 0.147 0.00 0.00 +0.221 A ATOM 23 N LIG 1 1.540 -0.141 -0.191 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 0.580 -1.064 -0.014 0.00 0.00 +0.128 A ATOM 25 C LIG 1 0.844 -2.304 0.523 0.00 0.00 +0.063 A ATOM 26 C LIG 1 2.153 -2.553 0.838 0.00 0.00 +0.118 A ATOM 27 N LIG 1 3.138 -1.660 0.653 0.00 0.00 -0.223 NA BRANCH 22 28 ATOM 28 N LIG 1 3.742 0.532 -0.081 0.00 0.00 -0.284 N ATOM 29 H LIG 1 3.271 1.344 -0.452 0.00 0.00 +0.155 HD BRANCH 28 33 ATOM 30 C LIG 1 7.871 1.016 0.611 0.00 0.00 +0.105 A ATOM 31 C LIG 1 7.242 -0.144 1.062 0.00 0.00 +0.030 A ATOM 32 C LIG 1 5.871 -0.318 0.841 0.00 0.00 +0.025 A ATOM 33 C LIG 1 5.109 0.660 0.189 0.00 0.00 +0.034 A ATOM 34 C LIG 1 5.771 1.822 -0.249 0.00 0.00 +0.025 A ATOM 35 C LIG 1 7.140 2.008 -0.038 0.00 0.00 +0.030 A BRANCH 30 36 ATOM 36 S LIG 1 9.608 1.226 0.891 0.00 0.00 +0.056 S ATOM 37 O LIG 1 9.954 0.574 2.131 0.00 0.00 -0.153 OA ATOM 38 O LIG 1 9.957 2.600 0.608 0.00 0.00 -0.153 OA BRANCH 36 39 ATOM 39 N LIG 1 10.263 0.327 -0.374 0.00 0.00 -0.204 NA ATOM 40 H LIG 1 9.570 -0.229 -0.873 0.00 0.00 +0.144 HD ATOM 41 H LIG 1 10.769 0.957 -0.998 0.00 0.00 +0.144 HD ENDBRANCH 36 39 ENDBRANCH 30 36 ENDBRANCH 28 33 ENDBRANCH 22 28 ENDBRANCH 1 24 TORSDOF 7