REMARK Name = LIG000027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.583 1.031 -2.136 0.00 0.00 -0.030 A ATOM 2 C LIG 1 1.625 0.106 -2.333 0.00 0.00 +0.011 A ATOM 3 C LIG 1 2.691 0.113 -1.449 0.00 0.00 -0.018 A ATOM 4 C LIG 1 3.926 -0.723 -1.436 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.592 -0.296 -0.213 0.00 0.00 -0.282 N ATOM 6 C LIG 1 3.959 0.794 0.366 0.00 0.00 +0.248 C ATOM 7 O LIG 1 4.329 1.472 1.304 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.720 1.016 -0.389 0.00 0.00 +0.042 A ATOM 9 C LIG 1 1.716 1.935 -0.162 0.00 0.00 +0.014 A ATOM 10 C LIG 1 0.636 1.934 -1.047 0.00 0.00 +0.006 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 5.960 -0.706 0.087 0.00 0.00 +0.163 C ATOM 12 C LIG 1 6.981 0.250 -0.551 0.00 0.00 +0.240 C ATOM 13 O LIG 1 6.783 0.844 -1.611 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 8.208 0.322 0.067 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.890 0.923 -0.375 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 8.660 -0.417 1.131 0.00 0.00 +0.219 C ATOM 17 O LIG 1 9.835 -0.365 1.484 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 7.668 -1.359 1.773 0.00 0.00 +0.098 C ATOM 19 C LIG 1 6.241 -0.873 1.580 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 -0.610 1.050 -3.061 0.00 0.00 +0.139 C BRANCH 20 22 ATOM 21 C LIG 1 -2.755 0.982 -1.861 0.00 0.00 +0.244 C ATOM 22 N LIG 1 -1.719 0.325 -2.477 0.00 0.00 -0.307 N ATOM 23 H LIG 1 -1.582 -0.663 -2.338 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -2.850 2.206 -1.839 0.00 0.00 -0.270 OA BRANCH 21 29 ATOM 25 C LIG 1 -7.375 -0.426 1.961 0.00 0.00 +0.121 A ATOM 26 C LIG 1 -6.402 0.374 1.359 0.00 0.00 +0.057 A ATOM 27 C LIG 1 -5.599 -0.142 0.331 0.00 0.00 +0.021 A ATOM 28 C LIG 1 -4.599 0.693 -0.321 0.00 0.00 +0.023 C ATOM 29 C LIG 1 -3.769 0.112 -1.199 0.00 0.00 +0.052 C ATOM 30 C LIG 1 -3.867 -1.346 -1.528 0.00 0.00 +0.269 C ATOM 31 O LIG 1 -5.056 -2.032 -1.103 0.00 0.00 -0.487 OA ATOM 32 C LIG 1 -5.776 -1.461 -0.091 0.00 0.00 +0.128 A ATOM 33 C LIG 1 -6.754 -2.259 0.498 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -7.546 -1.742 1.524 0.00 0.00 +0.049 A BRANCH 25 36 ATOM 35 C LIG 1 -8.095 1.286 3.447 0.00 0.00 +0.277 C ATOM 36 O LIG 1 -8.218 -0.048 2.970 0.00 0.00 -0.495 OA ENDBRANCH 25 36 ENDBRANCH 21 29 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 5