REMARK Name = LIG000379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.017 0.431 2.143 0.00 0.00 -0.307 N ATOM 2 H LIG 1 -0.138 -0.523 2.452 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 -0.730 0.868 1.044 0.00 0.00 +0.234 C ATOM 4 O LIG 1 -0.502 1.933 0.473 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -1.782 -0.149 0.543 0.00 0.00 +0.164 C ATOM 6 N LIG 1 -2.756 0.467 -0.346 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -3.802 1.184 0.189 0.00 0.00 +0.234 C ATOM 8 O LIG 1 -3.945 1.232 1.419 0.00 0.00 -0.274 OA ATOM 9 C LIG 1 -2.274 0.432 -1.722 0.00 0.00 +0.140 C ATOM 10 C LIG 1 -1.079 -0.536 -1.714 0.00 0.00 +0.134 C ATOM 11 C LIG 1 -1.120 -1.200 -0.336 0.00 0.00 +0.065 C BRANCH 10 12 ATOM 12 O LIG 1 -1.163 -1.523 -2.734 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -2.036 -1.950 -2.672 0.00 0.00 +0.210 HD ENDBRANCH 10 12 BRANCH 7 14 ATOM 14 C LIG 1 -4.866 1.880 -0.712 0.00 0.00 +0.143 C BRANCH 14 15 ATOM 15 C LIG 1 -6.097 0.975 -1.056 0.00 0.00 -0.014 C ATOM 16 C LIG 1 -6.717 0.402 0.238 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -7.191 1.817 -1.753 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -5.744 -0.202 -1.980 0.00 0.00 +0.012 C ENDBRANCH 14 15 BRANCH 14 19 ATOM 19 N LIG 1 -4.251 2.529 -1.891 0.00 0.00 -0.320 NA ATOM 20 H LIG 1 -3.500 3.138 -1.557 0.00 0.00 +0.119 HD ATOM 21 H LIG 1 -4.931 3.155 -2.320 0.00 0.00 +0.119 HD ENDBRANCH 14 19 ENDBRANCH 7 14 ENDBRANCH 3 5 BRANCH 1 22 ATOM 22 C LIG 1 1.162 1.137 2.618 0.00 0.00 +0.100 C ATOM 23 C LIG 1 1.157 1.196 4.146 0.00 0.00 +0.033 C BRANCH 22 27 ATOM 24 C LIG 1 4.637 -0.723 0.774 0.00 0.00 -0.010 A ATOM 25 C LIG 1 4.172 -1.182 2.012 0.00 0.00 +0.009 A ATOM 26 C LIG 1 3.061 -0.591 2.624 0.00 0.00 +0.006 A ATOM 27 C LIG 1 2.398 0.486 2.017 0.00 0.00 -0.027 A ATOM 28 C LIG 1 2.864 0.935 0.770 0.00 0.00 +0.006 A ATOM 29 C LIG 1 3.971 0.342 0.158 0.00 0.00 +0.009 A BRANCH 24 33 ATOM 30 C LIG 1 7.929 -3.294 -2.448 0.00 0.00 +0.073 C ATOM 31 C LIG 1 7.316 -2.536 -1.325 0.00 0.00 +0.076 A ATOM 32 S LIG 1 5.655 -2.114 -1.380 0.00 0.00 -0.072 S ATOM 33 C LIG 1 5.802 -1.345 0.148 0.00 0.00 +0.042 A ATOM 34 C LIG 1 7.109 -1.458 0.599 0.00 0.00 +0.053 A ATOM 35 C LIG 1 7.668 -0.922 1.869 0.00 0.00 +0.067 C ATOM 36 N LIG 1 7.964 -2.146 -0.250 0.00 0.00 -0.249 NA ENDBRANCH 24 33 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 8