REMARK Name = LIG000065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.278 2.933 1.189 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.145 2.118 1.623 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 0.896 3.823 2.057 0.00 0.00 +0.234 C ATOM 4 O LIG 1 1.546 4.816 1.742 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 10 ATOM 5 N LIG 1 -1.558 0.120 -1.661 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -1.164 0.816 -2.789 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -1.383 0.544 -3.953 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.402 1.977 -2.321 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -0.401 1.979 -0.922 0.00 0.00 +0.003 A ATOM 10 C LIG 1 0.275 2.970 -0.221 0.00 0.00 +0.039 A ATOM 11 C LIG 1 0.932 3.954 -0.979 0.00 0.00 +0.023 A ATOM 12 C LIG 1 0.915 3.937 -2.390 0.00 0.00 +0.003 A ATOM 13 C LIG 1 0.239 2.936 -3.079 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -1.207 0.819 -0.435 0.00 0.00 +0.146 C BRANCH 5 21 ATOM 15 O LIG 1 -5.169 -3.614 -0.034 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -4.398 -2.911 -0.681 0.00 0.00 +0.219 C ATOM 17 N LIG 1 -4.780 -1.677 -1.142 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -5.706 -1.401 -0.837 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -3.917 -0.619 -1.312 0.00 0.00 +0.240 C ATOM 20 O LIG 1 -4.302 0.533 -1.123 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -2.483 -1.005 -1.716 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -2.021 -2.177 -0.855 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -2.988 -3.340 -1.013 0.00 0.00 +0.098 C ENDBRANCH 5 21 ENDBRANCH 1 10 BRANCH 3 24 ATOM 24 C LIG 1 0.710 3.446 3.539 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 1.534 2.279 3.902 0.00 0.00 -0.320 N ATOM 26 H LIG 1 2.306 2.208 3.234 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 0.868 1.057 3.817 0.00 0.00 +0.124 A ATOM 28 N LIG 1 1.193 0.284 2.775 0.00 0.00 -0.199 NA ATOM 29 C LIG 1 0.629 -0.930 2.684 0.00 0.00 +0.221 A ATOM 30 N LIG 1 -0.283 -1.381 3.559 0.00 0.00 -0.223 NA ATOM 31 C LIG 1 -0.608 -0.567 4.580 0.00 0.00 +0.118 A ATOM 32 C LIG 1 -0.064 0.680 4.753 0.00 0.00 +0.063 A BRANCH 29 33 ATOM 33 N LIG 1 0.930 -1.800 1.641 0.00 0.00 -0.283 N ATOM 34 H LIG 1 0.530 -2.707 1.846 0.00 0.00 +0.155 HD BRANCH 33 35 ATOM 35 C LIG 1 1.746 -1.707 0.504 0.00 0.00 +0.037 A ATOM 36 C LIG 1 1.888 -2.845 -0.308 0.00 0.00 +0.072 A ATOM 37 C LIG 1 2.648 -2.755 -1.459 0.00 0.00 +0.168 A ATOM 38 O LIG 1 2.863 -3.761 -2.347 0.00 0.00 -0.453 OA ATOM 39 C LIG 1 3.724 -3.099 -3.299 0.00 0.00 +0.466 C ATOM 40 O LIG 1 3.957 -1.710 -2.991 0.00 0.00 -0.453 OA ATOM 41 C LIG 1 3.269 -1.588 -1.826 0.00 0.00 +0.166 A ATOM 42 C LIG 1 3.160 -0.449 -1.066 0.00 0.00 +0.051 A ATOM 43 C LIG 1 2.392 -0.517 0.104 0.00 0.00 +0.027 A ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7