REMARK Name = LIG001873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.584 -0.381 -0.065 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.636 -1.770 -0.113 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -5.589 -2.498 0.086 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.294 -2.238 -0.473 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.506 -1.124 -0.737 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -1.179 -1.276 -1.106 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -0.646 -2.574 -1.199 0.00 0.00 -0.012 A ATOM 8 C LIG 1 -1.473 -3.691 -0.930 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -2.813 -3.529 -0.564 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -3.314 0.120 -0.589 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -5.084 2.739 3.414 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -5.423 2.078 2.436 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -5.395 2.622 1.177 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -5.093 3.585 1.126 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.470 1.954 -0.022 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.154 2.525 -1.065 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.788 0.451 0.040 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.600 0.182 1.313 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -5.819 0.626 2.541 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 0.740 -2.784 -1.590 0.00 0.00 +0.046 A ATOM 21 C LIG 1 1.813 -1.984 -1.235 0.00 0.00 +0.165 A ATOM 22 N LIG 1 2.939 -2.567 -1.822 0.00 0.00 -0.221 N ATOM 23 C LIG 1 4.193 -1.998 -1.661 0.00 0.00 +0.118 A ATOM 24 C LIG 1 4.343 -0.886 -0.930 0.00 0.00 +0.063 A ATOM 25 C LIG 1 3.101 -0.317 -0.307 0.00 0.00 +0.123 A ATOM 26 N LIG 1 2.631 -3.689 -2.517 0.00 0.00 -0.173 NA ATOM 27 N LIG 1 1.910 -0.848 -0.472 0.00 0.00 -0.213 NA ATOM 28 C LIG 1 1.313 -3.811 -2.371 0.00 0.00 +0.145 A BRANCH 25 29 ATOM 29 N LIG 1 3.124 0.809 0.478 0.00 0.00 -0.325 N ATOM 30 H LIG 1 2.208 0.960 0.890 0.00 0.00 +0.148 HD BRANCH 29 31 ATOM 31 C LIG 1 4.209 1.171 1.369 0.00 0.00 +0.138 C BRANCH 31 32 ATOM 32 C LIG 1 5.297 1.953 0.672 0.00 0.00 -0.030 A ATOM 33 C LIG 1 4.996 2.935 -0.285 0.00 0.00 +0.005 A ATOM 34 C LIG 1 6.013 3.668 -0.898 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.344 3.438 -0.555 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.658 2.478 0.406 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.641 1.744 1.020 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 25 29 ENDBRANCH 7 20 TORSDOF 5