REMARK Name = LIG000917 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.313 1.229 -2.479 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -6.833 2.078 -1.477 0.00 0.00 +0.062 A ATOM 3 C LIG 1 -5.486 2.016 -1.151 0.00 0.00 +0.043 A ATOM 4 S LIG 1 -4.628 3.012 0.073 0.00 0.00 -0.049 S ATOM 5 C LIG 1 -3.159 2.195 -0.357 0.00 0.00 +0.180 A ATOM 6 N LIG 1 -3.336 1.238 -1.315 0.00 0.00 -0.274 N ATOM 7 C LIG 1 -2.117 0.637 -1.527 0.00 0.00 +0.132 A ATOM 8 C LIG 1 -1.249 1.380 -0.720 0.00 0.00 +0.112 A ATOM 9 N LIG 1 -1.924 2.319 0.043 0.00 0.00 -0.219 NA ATOM 10 C LIG 1 -4.633 1.116 -1.810 0.00 0.00 +0.064 A ATOM 11 C LIG 1 -5.079 0.279 -2.813 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -6.436 0.342 -3.138 0.00 0.00 +0.048 A ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 0.174 1.137 -0.569 0.00 0.00 +0.004 A ATOM 14 C LIG 1 0.702 0.978 0.723 0.00 0.00 +0.016 A ATOM 15 C LIG 1 2.047 0.680 0.854 0.00 0.00 -0.017 A ATOM 16 C LIG 1 2.856 0.452 2.084 0.00 0.00 +0.144 C ATOM 17 N LIG 1 4.156 0.073 1.546 0.00 0.00 -0.282 N ATOM 18 C LIG 1 4.211 0.229 0.169 0.00 0.00 +0.248 C ATOM 19 O LIG 1 5.174 0.126 -0.567 0.00 0.00 -0.270 OA ATOM 20 C LIG 1 2.854 0.564 -0.275 0.00 0.00 +0.042 A ATOM 21 C LIG 1 2.378 0.752 -1.558 0.00 0.00 +0.014 A ATOM 22 C LIG 1 1.019 1.046 -1.700 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.327 -0.048 2.408 0.00 0.00 +0.163 C ATOM 24 C LIG 1 6.050 1.299 2.560 0.00 0.00 +0.240 C ATOM 25 O LIG 1 5.476 2.387 2.529 0.00 0.00 -0.273 OA ATOM 26 N LIG 1 7.392 1.233 2.861 0.00 0.00 -0.255 N ATOM 27 H LIG 1 7.857 2.120 2.994 0.00 0.00 +0.158 HD ATOM 28 C LIG 1 8.145 0.114 3.110 0.00 0.00 +0.219 C ATOM 29 O LIG 1 9.303 0.206 3.507 0.00 0.00 -0.275 OA ATOM 30 C LIG 1 7.450 -1.220 2.962 0.00 0.00 +0.098 C ATOM 31 C LIG 1 6.304 -1.136 1.966 0.00 0.00 +0.041 C ENDBRANCH 17 23 ENDBRANCH 8 13 BRANCH 1 33 ATOM 32 C LIG 1 -9.541 2.048 -2.307 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -8.609 1.164 -2.918 0.00 0.00 -0.495 OA ENDBRANCH 1 33 BRANCH 7 34 ATOM 34 N LIG 1 -1.923 -0.451 -2.342 0.00 0.00 -0.324 N ATOM 35 H LIG 1 -0.953 -0.555 -2.644 0.00 0.00 +0.148 HD BRANCH 34 36 ATOM 36 C LIG 1 -2.328 -1.760 -1.797 0.00 0.00 +0.138 C BRANCH 36 37 ATOM 37 C LIG 1 -1.280 -2.299 -0.850 0.00 0.00 -0.030 A ATOM 38 C LIG 1 -0.097 -2.869 -1.344 0.00 0.00 +0.005 A ATOM 39 C LIG 1 0.890 -3.324 -0.468 0.00 0.00 +0.000 A ATOM 40 C LIG 1 0.706 -3.216 0.909 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -0.464 -2.652 1.412 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -1.451 -2.191 0.538 0.00 0.00 +0.005 A ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 7 34 TORSDOF 6