REMARK Name = LIG001559 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.758 2.228 0.815 0.00 0.00 +0.131 A ATOM 2 N LIG 1 -2.353 3.089 1.728 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -1.329 3.619 2.510 0.00 0.00 +0.140 A ATOM 4 C LIG 1 -1.702 4.501 3.564 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -2.998 4.822 3.745 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -4.039 4.288 2.881 0.00 0.00 +0.018 A ATOM 7 N LIG 1 -0.146 3.217 2.101 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 -3.696 3.438 1.899 0.00 0.00 +0.094 A ATOM 9 C LIG 1 -0.395 2.417 1.008 0.00 0.00 +0.112 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 0.682 1.820 0.241 0.00 0.00 +0.004 A ATOM 11 C LIG 1 1.737 1.191 0.926 0.00 0.00 +0.016 A ATOM 12 C LIG 1 2.757 0.618 0.187 0.00 0.00 -0.017 A ATOM 13 C LIG 1 3.964 -0.126 0.647 0.00 0.00 +0.144 C ATOM 14 N LIG 1 4.673 -0.389 -0.599 0.00 0.00 -0.282 N ATOM 15 C LIG 1 3.927 -0.015 -1.708 0.00 0.00 +0.248 C ATOM 16 O LIG 1 4.163 -0.217 -2.883 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 2.735 0.676 -1.204 0.00 0.00 +0.042 A ATOM 18 C LIG 1 1.724 1.299 -1.910 0.00 0.00 +0.014 A ATOM 19 C LIG 1 0.692 1.884 -1.172 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 5.817 -1.291 -0.644 0.00 0.00 +0.163 C ATOM 21 C LIG 1 5.370 -2.744 -0.870 0.00 0.00 +0.240 C ATOM 22 O LIG 1 4.296 -3.195 -0.472 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 6.299 -3.577 -1.451 0.00 0.00 -0.255 N ATOM 24 H LIG 1 6.016 -4.540 -1.569 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 7.594 -3.284 -1.799 0.00 0.00 +0.219 C ATOM 26 O LIG 1 8.357 -4.163 -2.189 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 8.047 -1.858 -1.589 0.00 0.00 +0.098 C ATOM 28 C LIG 1 6.878 -0.890 -1.669 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 9 10 BRANCH 1 29 ATOM 29 N LIG 1 -2.492 1.487 -0.084 0.00 0.00 -0.323 N ATOM 30 H LIG 1 -2.020 1.411 -0.987 0.00 0.00 +0.148 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.945 0.091 0.261 0.00 0.00 +0.028 C ATOM 32 C LIG 1 -3.588 0.043 1.659 0.00 0.00 +0.031 C ATOM 33 C LIG 1 -1.728 -0.843 0.234 0.00 0.00 +0.031 C BRANCH 31 34 ATOM 34 C LIG 1 -4.006 -0.247 -0.847 0.00 0.00 +0.031 C BRANCH 34 36 ATOM 35 C LIG 1 -4.959 -2.474 0.081 0.00 0.00 +0.010 C ATOM 36 C LIG 1 -4.517 -1.689 -1.158 0.00 0.00 -0.036 C ATOM 37 C LIG 1 -3.480 -2.512 -1.945 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -5.756 -1.537 -2.077 0.00 0.00 +0.010 C ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 6