REMARK Name = LIG001522 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.208 0.787 0.116 0.00 0.00 +0.152 A ATOM 2 C LIG 1 2.568 -0.522 -0.245 0.00 0.00 +0.148 A ATOM 3 N LIG 1 1.999 -1.751 0.022 0.00 0.00 -0.231 NA ATOM 4 C LIG 1 2.781 -2.619 -0.585 0.00 0.00 +0.201 A ATOM 5 N LIG 1 3.821 -2.006 -1.237 0.00 0.00 -0.312 N ATOM 6 C LIG 1 3.695 -0.659 -1.033 0.00 0.00 +0.167 A ATOM 7 N LIG 1 4.485 0.321 -1.492 0.00 0.00 -0.195 NA ATOM 8 C LIG 1 4.066 1.540 -1.105 0.00 0.00 +0.219 A ATOM 9 N LIG 1 2.986 1.803 -0.344 0.00 0.00 -0.197 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 4.870 -2.659 -2.008 0.00 0.00 +0.084 C ATOM 11 C LIG 1 5.724 -3.575 -1.131 0.00 0.00 +0.030 C ATOM 12 C LIG 1 4.300 -3.411 -3.210 0.00 0.00 +0.030 C ENDBRANCH 5 10 BRANCH 8 13 ATOM 13 N LIG 1 4.772 2.660 -1.507 0.00 0.00 -0.308 N ATOM 14 H LIG 1 4.468 3.437 -0.926 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 6.227 2.546 -1.629 0.00 0.00 +0.098 C BRANCH 15 16 ATOM 16 C LIG 1 6.871 2.393 -0.235 0.00 0.00 +0.021 C ATOM 17 C LIG 1 8.386 2.254 -0.281 0.00 0.00 +0.006 C ENDBRANCH 15 16 BRANCH 15 18 ATOM 18 C LIG 1 6.725 3.803 -2.380 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 6.553 4.979 -1.588 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 6.746 5.737 -2.166 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 8 13 BRANCH 1 21 ATOM 21 N LIG 1 1.092 1.038 0.924 0.00 0.00 -0.327 N ATOM 22 H LIG 1 0.507 0.206 0.958 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.418 2.299 0.659 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 -0.885 2.391 1.459 0.00 0.00 +0.019 C BRANCH 24 25 ATOM 25 C LIG 1 -2.128 1.881 0.717 0.00 0.00 +0.003 C BRANCH 25 26 ATOM 26 C LIG 1 -2.090 0.390 0.370 0.00 0.00 +0.015 C BRANCH 26 27 ATOM 27 C LIG 1 -3.386 -0.109 -0.292 0.00 0.00 +0.084 C BRANCH 27 28 ATOM 28 N LIG 1 -4.606 0.106 0.507 0.00 0.00 -0.302 NA BRANCH 28 29 ATOM 29 C LIG 1 -4.640 -0.755 1.703 0.00 0.00 +0.084 C BRANCH 29 30 ATOM 30 C LIG 1 -5.837 -0.479 2.628 0.00 0.00 +0.015 C BRANCH 30 32 ATOM 31 C LIG 1 -5.803 -2.727 3.837 0.00 0.00 +0.004 C ATOM 32 C LIG 1 -5.740 -1.213 3.969 0.00 0.00 -0.002 C ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 BRANCH 28 33 ATOM 33 C LIG 1 -5.817 0.029 -0.331 0.00 0.00 +0.084 C BRANCH 33 34 ATOM 34 C LIG 1 -6.167 -1.358 -0.894 0.00 0.00 +0.015 C BRANCH 34 35 ATOM 35 C LIG 1 -7.380 -1.335 -1.829 0.00 0.00 -0.002 C ATOM 36 C LIG 1 -8.684 -0.991 -1.124 0.00 0.00 +0.004 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 19