REMARK Name = LIG001285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.322 -3.777 0.844 0.00 0.00 -0.284 N ATOM 2 H LIG 1 0.563 -3.287 0.381 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 1.195 -5.155 0.921 0.00 0.00 +0.234 C ATOM 4 O LIG 1 2.038 -5.931 1.366 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 10 ATOM 5 N LIG 1 2.048 0.530 0.272 0.00 0.00 -0.282 N ATOM 6 C LIG 1 3.284 0.524 0.886 0.00 0.00 +0.248 C ATOM 7 O LIG 1 4.078 1.435 0.996 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.511 -0.841 1.364 0.00 0.00 +0.043 A ATOM 9 C LIG 1 2.431 -1.638 0.971 0.00 0.00 +0.003 A ATOM 10 C LIG 1 2.415 -2.993 1.270 0.00 0.00 +0.039 A ATOM 11 C LIG 1 3.508 -3.503 1.989 0.00 0.00 +0.023 A ATOM 12 C LIG 1 4.585 -2.681 2.382 0.00 0.00 +0.003 A ATOM 13 C LIG 1 4.596 -1.328 2.063 0.00 0.00 +0.013 A ATOM 14 C LIG 1 1.454 -0.797 0.217 0.00 0.00 +0.146 C BRANCH 5 21 ATOM 15 O LIG 1 3.634 5.175 -0.979 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 3.016 4.131 -0.784 0.00 0.00 +0.219 C ATOM 17 N LIG 1 2.972 3.157 -1.748 0.00 0.00 -0.255 N ATOM 18 H LIG 1 3.532 3.336 -2.569 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 2.331 1.944 -1.711 0.00 0.00 +0.240 C ATOM 20 O LIG 1 2.486 1.125 -2.618 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 1.479 1.644 -0.477 0.00 0.00 +0.163 C ATOM 22 C LIG 1 1.145 2.887 0.341 0.00 0.00 +0.041 C ATOM 23 C LIG 1 2.300 3.856 0.513 0.00 0.00 +0.098 C ENDBRANCH 5 21 ENDBRANCH 1 10 BRANCH 3 24 ATOM 24 C LIG 1 -0.111 -5.710 0.325 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 -1.254 -4.794 0.453 0.00 0.00 -0.320 N ATOM 26 H LIG 1 -1.225 -4.252 1.315 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.537 -3.940 -0.600 0.00 0.00 +0.124 A ATOM 28 N LIG 1 -1.640 -2.646 -0.266 0.00 0.00 -0.200 NA ATOM 29 C LIG 1 -1.974 -1.777 -1.232 0.00 0.00 +0.217 A ATOM 30 N LIG 1 -2.153 -2.116 -2.512 0.00 0.00 -0.223 NA ATOM 31 C LIG 1 -2.024 -3.416 -2.815 0.00 0.00 +0.118 A ATOM 32 C LIG 1 -1.722 -4.382 -1.889 0.00 0.00 +0.063 A BRANCH 29 33 ATOM 33 N LIG 1 -2.144 -0.463 -0.818 0.00 0.00 -0.309 N ATOM 34 H LIG 1 -2.321 -0.512 0.180 0.00 0.00 +0.149 HD BRANCH 33 35 ATOM 35 C LIG 1 -3.182 0.237 -1.556 0.00 0.00 +0.139 C BRANCH 35 36 ATOM 36 C LIG 1 -3.508 1.524 -0.829 0.00 0.00 -0.027 A ATOM 37 C LIG 1 -2.572 2.569 -0.795 0.00 0.00 +0.054 A ATOM 38 C LIG 1 -2.877 3.698 -0.064 0.00 0.00 +0.167 A ATOM 39 O LIG 1 -2.072 4.781 0.097 0.00 0.00 -0.453 OA ATOM 40 C LIG 1 -2.876 5.586 0.984 0.00 0.00 +0.466 C ATOM 41 O LIG 1 -4.170 5.012 1.258 0.00 0.00 -0.453 OA ATOM 42 C LIG 1 -4.069 3.826 0.603 0.00 0.00 +0.166 A ATOM 43 C LIG 1 -5.028 2.836 0.568 0.00 0.00 +0.050 A ATOM 44 C LIG 1 -4.738 1.671 -0.147 0.00 0.00 +0.009 A ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 8