REMARK Name = LIG000523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.210 -0.229 -0.988 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.538 0.265 -0.644 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.901 0.380 0.683 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -1.083 0.068 1.556 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -2.274 0.665 -1.831 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -1.299 0.471 -2.998 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -0.307 -0.568 -2.470 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 2.095 0.383 -0.415 0.00 0.00 -0.310 N ATOM 9 H LIG 1 2.123 -0.525 0.033 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.851 0.869 -0.764 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.630 2.064 -0.956 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 3.146 1.307 -0.060 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 6.843 -0.860 0.536 0.00 0.00 -0.010 A ATOM 14 C LIG 1 6.022 -0.539 1.625 0.00 0.00 +0.009 A ATOM 15 C LIG 1 4.831 0.168 1.435 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.444 0.575 0.152 0.00 0.00 -0.030 A ATOM 17 C LIG 1 5.259 0.246 -0.939 0.00 0.00 +0.006 A ATOM 18 C LIG 1 6.450 -0.460 -0.747 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 9.860 0.056 -0.167 0.00 0.00 +0.067 C ATOM 20 C LIG 1 9.401 -1.230 0.423 0.00 0.00 +0.053 A ATOM 21 C LIG 1 8.095 -1.591 0.728 0.00 0.00 +0.042 A ATOM 22 S LIG 1 8.079 -3.171 1.407 0.00 0.00 -0.075 S ATOM 23 C LIG 1 9.779 -3.246 1.241 0.00 0.00 +0.156 A ATOM 24 N LIG 1 10.359 -2.189 0.720 0.00 0.00 -0.252 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 O LIG 1 -1.945 0.008 -4.175 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -2.349 -0.857 -3.986 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 -3.282 1.025 1.036 0.00 0.00 +0.165 C BRANCH 27 28 ATOM 28 N LIG 1 -4.370 0.330 0.336 0.00 0.00 -0.281 N ATOM 29 C LIG 1 -4.679 -1.007 0.531 0.00 0.00 +0.248 C ATOM 30 O LIG 1 -4.053 -1.847 1.146 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 -5.944 -1.253 -0.171 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -6.386 -0.044 -0.707 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -7.567 0.009 -1.425 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -8.289 -1.179 -1.594 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.830 -2.392 -1.046 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.639 -2.437 -0.320 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -5.432 1.047 -0.357 0.00 0.00 +0.144 C ENDBRANCH 27 28 BRANCH 27 38 ATOM 38 C LIG 1 -3.495 1.120 2.576 0.00 0.00 +0.012 C ATOM 39 C LIG 1 -2.585 2.199 3.188 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -4.939 1.447 2.980 0.00 0.00 +0.009 C ENDBRANCH 27 38 ENDBRANCH 3 27 TORSDOF 8