REMARK Name = LIG001474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.845 0.569 -0.681 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.559 -0.495 -0.281 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.796 -1.443 0.279 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.429 -1.406 0.471 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.983 -2.567 1.070 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.069 -3.289 1.246 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.763 -0.250 0.031 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.192 -2.652 0.783 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.513 0.726 -0.549 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.557 -3.158 0.815 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.703 -4.435 -0.013 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.045 -3.366 2.249 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.488 1.645 -1.275 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.828 2.415 -1.267 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.841 1.956 -0.803 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -6.920 3.263 -1.599 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -5.448 2.948 -1.821 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -4.808 2.529 0.633 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -6.105 2.548 1.222 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -5.996 2.863 2.135 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.618 -0.094 0.192 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.044 -0.997 0.395 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.262 0.651 -0.873 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.760 0.599 -0.677 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.566 -0.195 -1.501 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.951 -0.244 -1.305 0.00 0.00 +0.008 A ATOM 27 C LIG 1 5.563 0.494 -0.282 0.00 0.00 -0.022 A ATOM 28 C LIG 1 4.749 1.274 0.550 0.00 0.00 +0.008 A ATOM 29 C LIG 1 3.365 1.327 0.356 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 7.022 0.426 -0.061 0.00 0.00 -0.040 C ATOM 31 C LIG 1 7.533 0.335 1.356 0.00 0.00 +0.063 C ATOM 32 C LIG 1 8.977 -0.165 1.381 0.00 0.00 +0.165 C ATOM 33 O LIG 1 9.774 0.608 0.484 0.00 0.00 -0.375 OA ATOM 34 C LIG 1 9.390 0.404 -0.878 0.00 0.00 +0.187 C ATOM 35 C LIG 1 7.902 0.453 -1.080 0.00 0.00 +0.005 C ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10