REMARK Name = LIG000425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.190 -1.226 -0.137 0.00 0.00 +0.089 A ATOM 2 N LIG 1 0.309 -0.530 -0.938 0.00 0.00 -0.231 NA ATOM 3 C LIG 1 -0.855 -1.137 -0.818 0.00 0.00 +0.128 A ATOM 4 N LIG 1 -0.754 -2.202 0.045 0.00 0.00 -0.346 N ATOM 5 H LIG 1 -1.538 -2.781 0.331 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 0.538 -2.269 0.485 0.00 0.00 +0.112 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.159 -0.784 -1.472 0.00 0.00 +0.144 C ATOM 8 N LIG 1 -3.043 -0.152 -0.497 0.00 0.00 -0.288 N ATOM 9 C LIG 1 -3.728 -0.910 0.426 0.00 0.00 +0.234 C ATOM 10 O LIG 1 -3.558 -2.139 0.458 0.00 0.00 -0.274 OA ATOM 11 C LIG 1 -2.880 1.299 -0.540 0.00 0.00 +0.140 C ATOM 12 C LIG 1 -2.032 1.592 -1.787 0.00 0.00 +0.134 C ATOM 13 C LIG 1 -2.020 0.274 -2.559 0.00 0.00 +0.063 C BRANCH 12 14 ATOM 14 O LIG 1 -2.586 2.633 -2.587 0.00 0.00 -0.390 OA ATOM 15 H LIG 1 -3.496 2.385 -2.823 0.00 0.00 +0.210 HD ENDBRANCH 12 14 BRANCH 9 16 ATOM 16 C LIG 1 -4.763 -0.276 1.403 0.00 0.00 +0.143 C BRANCH 16 17 ATOM 17 C LIG 1 -6.218 -0.211 0.825 0.00 0.00 -0.014 C ATOM 18 C LIG 1 -6.652 -1.604 0.316 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -6.368 0.790 -0.332 0.00 0.00 +0.012 C ATOM 20 C LIG 1 -7.210 0.197 1.939 0.00 0.00 +0.012 C ENDBRANCH 16 17 BRANCH 16 21 ATOM 21 N LIG 1 -4.280 1.002 1.965 0.00 0.00 -0.320 NA ATOM 22 H LIG 1 -3.374 0.838 2.410 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 -4.900 1.297 2.718 0.00 0.00 +0.119 HD ENDBRANCH 16 21 ENDBRANCH 9 16 ENDBRANCH 3 7 BRANCH 1 27 ATOM 24 C LIG 1 5.306 -0.086 0.235 0.00 0.00 -0.009 A ATOM 25 C LIG 1 4.830 -1.228 0.891 0.00 0.00 +0.010 A ATOM 26 C LIG 1 3.487 -1.611 0.778 0.00 0.00 +0.010 A ATOM 27 C LIG 1 2.592 -0.860 0.005 0.00 0.00 +0.002 A ATOM 28 C LIG 1 3.074 0.281 -0.652 0.00 0.00 +0.010 A ATOM 29 C LIG 1 4.415 0.664 -0.540 0.00 0.00 +0.010 A BRANCH 24 33 ATOM 30 C LIG 1 10.056 1.470 1.927 0.00 0.00 +0.073 C ATOM 31 C LIG 1 8.891 1.036 1.110 0.00 0.00 +0.076 A ATOM 32 S LIG 1 7.395 0.680 1.868 0.00 0.00 -0.072 S ATOM 33 C LIG 1 6.710 0.312 0.337 0.00 0.00 +0.042 A ATOM 34 C LIG 1 7.669 0.480 -0.652 0.00 0.00 +0.053 A ATOM 35 C LIG 1 7.499 0.258 -2.113 0.00 0.00 +0.067 C ATOM 36 N LIG 1 8.912 0.895 -0.197 0.00 0.00 -0.249 NA ENDBRANCH 24 33 ENDBRANCH 1 27 TORSDOF 7