REMARK Name = LIG000432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.705 2.160 0.292 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.737 3.550 0.173 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -0.668 4.361 0.617 0.00 0.00 -0.037 A ATOM 4 C LIG 1 0.446 3.719 1.191 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.496 2.328 1.312 0.00 0.00 +0.123 A ATOM 6 C LIG 1 -0.581 1.561 0.863 0.00 0.00 +0.069 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.954 1.649 -0.706 0.00 0.00 +0.270 C ATOM 8 N LIG 1 -2.745 1.304 -0.125 0.00 0.00 -0.280 N ATOM 9 H LIG 1 -2.570 0.312 -0.018 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -4.320 2.780 -1.000 0.00 0.00 -0.268 OA BRANCH 7 14 ATOM 11 N LIG 1 -6.015 -1.341 -0.877 0.00 0.00 -0.213 N ATOM 12 C LIG 1 -5.243 -0.490 -0.084 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -4.976 -0.663 1.365 0.00 0.00 +0.068 C ATOM 14 C LIG 1 -4.803 0.490 -0.967 0.00 0.00 +0.170 A ATOM 15 N LIG 1 -5.277 0.218 -2.216 0.00 0.00 -0.124 NA ATOM 16 N LIG 1 -5.951 -0.917 -2.165 0.00 0.00 -0.060 NA BRANCH 11 19 ATOM 17 C LIG 1 -8.246 -3.590 1.115 0.00 0.00 +0.122 A ATOM 18 C LIG 1 -7.432 -2.512 0.746 0.00 0.00 +0.077 A ATOM 19 C LIG 1 -6.828 -2.454 -0.520 0.00 0.00 +0.112 A ATOM 20 C LIG 1 -7.085 -3.492 -1.430 0.00 0.00 +0.146 A ATOM 21 C LIG 1 -7.881 -4.580 -1.052 0.00 0.00 +0.051 A ATOM 22 C LIG 1 -8.464 -4.628 0.214 0.00 0.00 +0.049 A BRANCH 17 24 ATOM 23 C LIG 1 -9.638 -4.547 2.791 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -8.761 -3.504 2.379 0.00 0.00 -0.495 OA ENDBRANCH 17 24 BRANCH 20 25 ATOM 25 O LIG 1 -6.453 -3.557 -2.644 0.00 0.00 -0.493 OA ATOM 26 C LIG 1 -7.374 -3.342 -3.714 0.00 0.00 +0.277 C ENDBRANCH 20 25 ENDBRANCH 11 19 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 27 ATOM 27 C LIG 1 -0.752 5.891 0.449 0.00 0.00 -0.012 C ATOM 28 C LIG 1 -2.004 6.433 1.171 0.00 0.00 +0.015 C ATOM 29 C LIG 1 -0.843 6.239 -1.053 0.00 0.00 +0.015 C ATOM 30 C LIG 1 0.467 6.653 1.020 0.00 0.00 +0.015 C ENDBRANCH 3 27 BRANCH 5 31 ATOM 31 O LIG 1 1.516 1.593 1.848 0.00 0.00 -0.490 OA BRANCH 31 32 ATOM 32 C LIG 1 2.739 2.242 2.200 0.00 0.00 +0.247 C BRANCH 32 33 ATOM 33 C LIG 1 3.647 2.490 0.983 0.00 0.00 +0.142 C BRANCH 33 34 ATOM 34 N LIG 1 4.085 1.229 0.382 0.00 0.00 -0.340 N ATOM 35 H LIG 1 4.152 0.447 1.043 0.00 0.00 +0.146 HD BRANCH 34 36 ATOM 36 C LIG 1 5.102 1.217 -0.568 0.00 0.00 +0.040 A ATOM 37 C LIG 1 5.853 0.072 -0.805 0.00 0.00 +0.070 A ATOM 38 C LIG 1 5.854 -1.220 -0.114 0.00 0.00 +0.256 C ATOM 39 N LIG 1 6.759 -2.020 -0.760 0.00 0.00 -0.222 N ATOM 40 C LIG 1 7.417 -1.332 -1.741 0.00 0.00 +0.255 C ATOM 41 O LIG 1 8.342 -1.693 -2.442 0.00 0.00 -0.270 OA ATOM 42 O LIG 1 5.179 -1.481 0.866 0.00 0.00 -0.269 OA ATOM 43 C LIG 1 6.820 -0.001 -1.795 0.00 0.00 +0.051 A ATOM 44 C LIG 1 7.102 1.061 -2.628 0.00 0.00 +0.014 A ATOM 45 C LIG 1 6.354 2.222 -2.440 0.00 0.00 +0.003 A ATOM 46 C LIG 1 5.364 2.293 -1.433 0.00 0.00 +0.024 A BRANCH 39 47 ATOM 47 C LIG 1 7.138 -3.334 -0.264 0.00 0.00 +0.171 C ATOM 48 C LIG 1 8.412 -3.211 0.580 0.00 0.00 +0.240 C ATOM 49 O LIG 1 8.784 -2.166 1.111 0.00 0.00 -0.273 OA ATOM 50 N LIG 1 9.111 -4.381 0.776 0.00 0.00 -0.255 N ATOM 51 H LIG 1 9.941 -4.308 1.347 0.00 0.00 +0.158 HD ATOM 52 C LIG 1 8.902 -5.598 0.175 0.00 0.00 +0.219 C ATOM 53 O LIG 1 9.648 -6.548 0.396 0.00 0.00 -0.275 OA ATOM 54 C LIG 1 7.683 -5.718 -0.710 0.00 0.00 +0.098 C ATOM 55 C LIG 1 7.333 -4.385 -1.355 0.00 0.00 +0.041 C ENDBRANCH 39 47 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 12