REMARK Name = LIG000426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.046 0.634 -1.510 0.00 0.00 -0.306 N ATOM 2 H LIG 1 1.748 0.215 -2.382 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 1.052 1.207 -0.740 0.00 0.00 +0.234 C ATOM 4 O LIG 1 1.197 1.515 0.441 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -0.234 1.522 -1.528 0.00 0.00 +0.164 C ATOM 6 N LIG 1 -1.403 1.526 -0.655 0.00 0.00 -0.287 N ATOM 7 C LIG 1 -1.845 0.350 -0.087 0.00 0.00 +0.227 C ATOM 8 O LIG 1 -1.278 -0.720 -0.330 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 -2.120 2.792 -0.736 0.00 0.00 +0.140 C ATOM 10 C LIG 1 -1.574 3.458 -2.001 0.00 0.00 +0.134 C ATOM 11 C LIG 1 -0.143 2.948 -2.085 0.00 0.00 +0.065 C BRANCH 10 12 ATOM 12 O LIG 1 -2.299 3.011 -3.145 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -2.007 3.541 -3.907 0.00 0.00 +0.210 HD ENDBRANCH 10 12 BRANCH 7 14 ATOM 14 C LIG 1 -3.053 0.422 0.859 0.00 0.00 +0.146 C BRANCH 14 15 ATOM 15 C LIG 1 -4.265 0.122 0.041 0.00 0.00 +0.150 A ATOM 16 O LIG 1 -5.292 1.010 0.144 0.00 0.00 -0.359 OA ATOM 17 N LIG 1 -6.337 0.602 -0.663 0.00 0.00 -0.083 NA ATOM 18 C LIG 1 -5.929 -0.533 -1.243 0.00 0.00 +0.081 A ATOM 19 C LIG 1 -6.816 -1.248 -2.185 0.00 0.00 +0.069 C ATOM 20 C LIG 1 -4.626 -0.881 -0.827 0.00 0.00 +0.071 A ENDBRANCH 14 15 BRANCH 14 21 ATOM 21 C LIG 1 -2.899 -0.568 2.047 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -1.651 -0.239 2.880 0.00 0.00 +0.008 C ATOM 23 C LIG 1 -4.122 -0.544 2.974 0.00 0.00 +0.008 C ENDBRANCH 14 21 ENDBRANCH 7 14 ENDBRANCH 3 5 BRANCH 1 24 ATOM 24 C LIG 1 3.298 0.081 -0.979 0.00 0.00 +0.112 C BRANCH 24 25 ATOM 25 C LIG 1 3.116 -1.387 -0.605 0.00 0.00 -0.027 A ATOM 26 C LIG 1 2.121 -1.806 0.294 0.00 0.00 +0.007 A ATOM 27 C LIG 1 1.970 -3.157 0.618 0.00 0.00 +0.019 A ATOM 28 C LIG 1 2.820 -4.113 0.057 0.00 0.00 +0.052 A ATOM 29 C LIG 1 3.822 -3.709 -0.829 0.00 0.00 +0.019 A ATOM 30 C LIG 1 3.968 -2.358 -1.156 0.00 0.00 +0.007 A BRANCH 28 31 ATOM 31 C LIG 1 2.667 -5.498 0.390 0.00 0.00 +0.099 C ATOM 32 N LIG 1 2.546 -6.621 0.659 0.00 0.00 -0.191 NA ENDBRANCH 28 31 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 3.941 0.900 0.148 0.00 0.00 +0.122 C BRANCH 33 37 ATOM 34 C LIG 1 7.333 0.825 1.813 0.00 0.00 +0.128 C ATOM 35 N LIG 1 5.954 1.071 1.472 0.00 0.00 -0.318 N ATOM 36 H LIG 1 5.318 1.335 2.215 0.00 0.00 +0.148 HD ATOM 37 C LIG 1 5.424 0.619 0.281 0.00 0.00 +0.215 C ATOM 38 O LIG 1 6.099 0.093 -0.598 0.00 0.00 -0.276 OA ENDBRANCH 33 37 ENDBRANCH 24 33 ENDBRANCH 1 24 TORSDOF 10