REMARK Name = LIG001953 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.621 -0.299 0.215 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.967 -0.274 -0.144 0.00 0.00 +0.003 A ATOM 3 C LIG 1 -3.149 0.258 0.599 0.00 0.00 +0.146 C ATOM 4 N LIG 1 -4.272 -0.094 -0.256 0.00 0.00 -0.282 N ATOM 5 C LIG 1 -3.847 -0.593 -1.477 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -4.513 -0.844 -2.462 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.393 -0.758 -1.386 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -1.530 -1.277 -2.329 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -0.181 -1.303 -1.998 0.00 0.00 +0.003 A ATOM 10 C LIG 1 0.262 -0.816 -0.749 0.00 0.00 +0.023 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -5.614 0.421 -0.001 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -5.815 1.800 -0.649 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -4.910 2.623 -0.785 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.111 2.134 -0.967 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.245 3.057 -1.358 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.255 1.431 -0.684 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.363 1.925 -0.869 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.076 0.072 -0.048 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.731 -0.536 -0.414 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 20 ATOM 20 N LIG 1 -0.210 0.242 1.447 0.00 0.00 -0.299 N ATOM 21 H LIG 1 -0.928 0.229 2.156 0.00 0.00 +0.154 HD BRANCH 20 27 ATOM 22 C LIG 1 3.357 1.118 1.557 0.00 0.00 +0.221 C ATOM 23 N LIG 1 3.538 0.974 2.989 0.00 0.00 -0.325 N ATOM 24 H LIG 1 4.400 1.370 3.350 0.00 0.00 +0.148 HD ATOM 25 C LIG 1 2.451 1.023 3.809 0.00 0.00 +0.072 C ATOM 26 C LIG 1 1.213 0.859 3.344 0.00 0.00 +0.058 C ATOM 27 C LIG 1 1.062 0.594 1.871 0.00 0.00 +0.122 C ATOM 28 N LIG 1 2.049 0.717 1.042 0.00 0.00 -0.242 NA BRANCH 22 32 ATOM 29 C LIG 1 6.484 -1.096 -0.490 0.00 0.00 +0.017 A ATOM 30 C LIG 1 6.339 0.280 -0.703 0.00 0.00 +0.012 A ATOM 31 C LIG 1 5.333 0.994 -0.040 0.00 0.00 +0.008 A ATOM 32 C LIG 1 4.460 0.347 0.848 0.00 0.00 -0.006 A ATOM 33 C LIG 1 4.610 -1.034 1.049 0.00 0.00 +0.008 A ATOM 34 C LIG 1 5.613 -1.748 0.390 0.00 0.00 +0.012 A BRANCH 29 36 ATOM 35 C LIG 1 8.443 -1.222 -2.171 0.00 0.00 +0.091 C ATOM 36 C LIG 1 7.540 -1.901 -1.175 0.00 0.00 +0.160 C ATOM 37 O LIG 1 7.664 -3.097 -0.919 0.00 0.00 -0.292 OA ENDBRANCH 29 36 ENDBRANCH 22 32 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 5