REMARK Name = LIG000060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.615 -0.450 0.182 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.276 0.296 -0.933 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.002 0.715 -1.811 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.833 0.545 -0.854 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -1.365 0.013 0.342 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -0.025 0.120 0.682 0.00 0.00 +0.028 A ATOM 7 C LIG 1 0.862 0.748 -0.209 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.341 1.313 -1.399 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.011 1.207 -1.740 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -2.496 -0.589 1.104 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -8.269 0.718 -1.468 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.284 0.256 -0.896 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -6.821 0.828 0.259 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -7.299 1.670 0.546 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.730 0.474 1.010 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.363 1.176 1.954 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -4.974 -0.788 0.594 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -5.756 -1.679 -0.368 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -6.528 -0.930 -1.438 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 N LIG 1 2.212 0.961 0.080 0.00 0.00 -0.340 N ATOM 21 H LIG 1 2.773 1.135 -0.750 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 2.892 0.133 1.065 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 4.386 0.372 0.981 0.00 0.00 -0.023 A ATOM 24 C LIG 1 5.213 -0.296 0.032 0.00 0.00 -0.010 A ATOM 25 C LIG 1 6.597 -0.008 0.023 0.00 0.00 +0.001 A ATOM 26 C LIG 1 7.402 -0.674 -0.906 0.00 0.00 +0.119 A ATOM 27 N LIG 1 6.955 -1.576 -1.809 0.00 0.00 -0.263 NA ATOM 28 C LIG 1 5.634 -1.830 -1.792 0.00 0.00 +0.111 A ATOM 29 C LIG 1 7.137 0.926 0.921 0.00 0.00 +0.010 A ATOM 30 C LIG 1 6.318 1.590 1.829 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.743 -1.230 -0.914 0.00 0.00 +0.028 A ATOM 32 C LIG 1 4.953 1.319 1.855 0.00 0.00 +0.006 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 7 20 TORSDOF 4