REMARK Name = LIG001306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.815 0.995 -0.393 0.00 0.00 -0.306 N ATOM 2 H LIG 1 2.168 1.512 0.410 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 0.516 0.535 -0.386 0.00 0.00 +0.234 C ATOM 4 O LIG 1 0.072 -0.231 -1.241 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -0.306 1.017 0.830 0.00 0.00 +0.164 C ATOM 6 N LIG 1 -1.730 0.746 0.649 0.00 0.00 -0.287 N ATOM 7 C LIG 1 -2.492 1.603 -0.109 0.00 0.00 +0.227 C ATOM 8 O LIG 1 -1.971 2.626 -0.578 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 -2.063 -0.560 1.210 0.00 0.00 +0.140 C ATOM 10 C LIG 1 -0.792 -1.049 1.920 0.00 0.00 +0.134 C ATOM 11 C LIG 1 0.057 0.211 2.070 0.00 0.00 +0.065 C BRANCH 10 12 ATOM 12 O LIG 1 -1.058 -1.601 3.201 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -1.617 -2.387 3.069 0.00 0.00 +0.210 HD ENDBRANCH 10 12 BRANCH 7 14 ATOM 14 C LIG 1 -3.998 1.401 -0.325 0.00 0.00 +0.146 C BRANCH 14 15 ATOM 15 C LIG 1 -4.356 0.005 -0.702 0.00 0.00 +0.150 A ATOM 16 O LIG 1 -5.019 -0.762 0.204 0.00 0.00 -0.359 OA ATOM 17 N LIG 1 -5.246 -2.018 -0.325 0.00 0.00 -0.083 NA ATOM 18 C LIG 1 -4.731 -1.991 -1.560 0.00 0.00 +0.081 A ATOM 19 C LIG 1 -4.802 -3.189 -2.425 0.00 0.00 +0.069 C ATOM 20 C LIG 1 -4.159 -0.733 -1.847 0.00 0.00 +0.071 A ENDBRANCH 14 15 BRANCH 14 21 ATOM 21 C LIG 1 -4.851 2.111 0.756 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -4.700 1.590 2.185 0.00 0.00 +0.008 C ATOM 23 C LIG 1 -6.335 2.165 0.370 0.00 0.00 +0.008 C ENDBRANCH 14 21 ENDBRANCH 7 14 ENDBRANCH 3 5 BRANCH 1 24 ATOM 24 C LIG 1 2.812 0.503 -1.327 0.00 0.00 +0.112 C BRANCH 24 28 ATOM 25 C LIG 1 4.607 -3.238 -0.045 0.00 0.00 +0.025 A ATOM 26 C LIG 1 4.141 -3.084 -1.350 0.00 0.00 +0.017 A ATOM 27 C LIG 1 3.562 -1.876 -1.750 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.438 -0.803 -0.852 0.00 0.00 -0.027 A ATOM 29 C LIG 1 3.909 -0.975 0.459 0.00 0.00 +0.006 A ATOM 30 C LIG 1 4.489 -2.183 0.859 0.00 0.00 +0.017 A BRANCH 25 32 ATOM 31 C LIG 1 5.696 -5.511 0.712 0.00 0.00 +0.009 C ATOM 32 C LIG 1 5.199 -4.473 0.366 0.00 0.00 -0.070 C ENDBRANCH 25 32 ENDBRANCH 24 28 BRANCH 24 33 ATOM 33 C LIG 1 3.869 1.561 -1.680 0.00 0.00 +0.122 C BRANCH 33 34 ATOM 34 C LIG 1 4.540 2.200 -0.479 0.00 0.00 +0.215 C ATOM 35 N LIG 1 5.784 2.724 -0.759 0.00 0.00 -0.318 N ATOM 36 H LIG 1 6.087 2.784 -1.722 0.00 0.00 +0.148 HD ATOM 37 C LIG 1 6.523 3.461 0.235 0.00 0.00 +0.128 C ATOM 38 O LIG 1 4.002 2.295 0.621 0.00 0.00 -0.276 OA ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 1 24 TORSDOF 10