REMARK Name = LIG000376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.050 -1.691 0.518 0.00 0.00 -0.289 NA ATOM 2 C LIG 1 -3.254 -0.250 0.744 0.00 0.00 +0.159 C ATOM 3 C LIG 1 -2.024 0.411 1.286 0.00 0.00 +0.124 A ATOM 4 N LIG 1 -0.786 -0.168 1.154 0.00 0.00 -0.325 N ATOM 5 C LIG 1 0.155 0.681 1.684 0.00 0.00 +0.069 A ATOM 6 C LIG 1 -0.591 1.766 2.109 0.00 0.00 +0.139 A ATOM 7 C LIG 1 -0.589 -1.467 0.539 0.00 0.00 +0.139 C ATOM 8 N LIG 1 -1.930 1.589 1.867 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 -1.825 -1.926 -0.253 0.00 0.00 +0.107 C ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 1.592 0.448 1.724 0.00 0.00 +0.000 A ATOM 11 C LIG 1 2.456 1.344 1.071 0.00 0.00 +0.016 A ATOM 12 C LIG 1 3.819 1.102 1.118 0.00 0.00 -0.017 A ATOM 13 C LIG 1 4.944 1.875 0.513 0.00 0.00 +0.144 C ATOM 14 N LIG 1 6.113 1.114 0.941 0.00 0.00 -0.282 N ATOM 15 C LIG 1 5.772 -0.013 1.671 0.00 0.00 +0.248 C ATOM 16 O LIG 1 6.511 -0.882 2.092 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 4.312 -0.003 1.809 0.00 0.00 +0.042 A ATOM 18 C LIG 1 3.493 -0.899 2.467 0.00 0.00 +0.014 A ATOM 19 C LIG 1 2.117 -0.662 2.422 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 7.460 1.325 0.417 0.00 0.00 +0.163 C ATOM 21 C LIG 1 7.839 2.794 0.166 0.00 0.00 +0.240 C ATOM 22 O LIG 1 7.287 3.753 0.702 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 8.900 3.003 -0.686 0.00 0.00 -0.255 N ATOM 24 H LIG 1 9.148 3.971 -0.848 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 9.496 2.092 -1.521 0.00 0.00 +0.219 C ATOM 26 O LIG 1 10.319 2.448 -2.359 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 9.114 0.647 -1.323 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.670 0.519 -0.867 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 5 10 BRANCH 1 29 ATOM 29 C LIG 1 -4.250 -2.371 0.015 0.00 0.00 +0.120 C BRANCH 29 31 ATOM 30 C LIG 1 -5.824 -1.113 -1.618 0.00 0.00 -0.012 A ATOM 31 C LIG 1 -4.751 -2.011 -1.376 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -4.130 -2.637 -2.478 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.529 -2.375 -3.788 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.569 -1.490 -4.027 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.213 -0.873 -2.954 0.00 0.00 +0.009 A BRANCH 30 37 ATOM 36 C LIG 1 -6.531 0.950 -0.316 0.00 0.00 +0.059 A ATOM 37 C LIG 1 -6.590 -0.443 -0.545 0.00 0.00 -0.000 A ATOM 38 C LIG 1 -7.453 -1.210 0.263 0.00 0.00 +0.010 A ATOM 39 C LIG 1 -8.198 -0.626 1.290 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -8.105 0.742 1.524 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -7.280 1.529 0.722 0.00 0.00 +0.019 A BRANCH 36 43 ATOM 42 N LIG 1 -5.090 2.532 -1.790 0.00 0.00 -0.191 NA ATOM 43 C LIG 1 -5.724 1.817 -1.130 0.00 0.00 +0.100 C ENDBRANCH 36 43 ENDBRANCH 30 37 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 6