REMARK Name = LIG001106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.224 1.428 1.278 0.00 0.00 +0.210 A ATOM 2 C LIG 1 0.481 0.047 1.773 0.00 0.00 +0.288 A ATOM 3 O LIG 1 1.630 -0.258 2.069 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -0.612 -0.789 1.797 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -1.904 -0.371 1.500 0.00 0.00 +0.353 A ATOM 6 O LIG 1 -2.841 -1.155 1.646 0.00 0.00 -0.244 OA ATOM 7 N LIG 1 -2.025 0.952 1.029 0.00 0.00 -0.181 N ATOM 8 N LIG 1 -0.957 1.817 0.908 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 4.520 2.639 -0.717 0.00 0.00 +0.115 C ATOM 10 C LIG 1 3.309 3.263 -0.024 0.00 0.00 +0.122 C ATOM 11 N LIG 1 2.176 2.344 0.058 0.00 0.00 -0.295 N ATOM 12 C LIG 1 1.353 2.419 1.185 0.00 0.00 +0.272 C ATOM 13 O LIG 1 1.494 3.205 2.116 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 1.748 1.724 -1.194 0.00 0.00 +0.108 C ATOM 15 C LIG 1 2.904 1.044 -1.908 0.00 0.00 +0.020 C ATOM 16 C LIG 1 4.122 1.961 -2.035 0.00 0.00 +0.018 C BRANCH 9 17 ATOM 17 C LIG 1 5.286 1.770 0.272 0.00 0.00 +0.312 C ATOM 18 O LIG 1 5.862 2.228 1.252 0.00 0.00 -0.250 OA BRANCH 17 19 ATOM 19 O LIG 1 5.269 0.458 -0.071 0.00 0.00 -0.465 OA BRANCH 19 21 ATOM 20 C LIG 1 5.156 -0.907 1.921 0.00 0.00 +0.048 C ATOM 21 C LIG 1 6.015 -0.437 0.768 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 9 17 ENDBRANCH 1 12 BRANCH 7 22 ATOM 22 C LIG 1 -3.276 1.562 0.653 0.00 0.00 +0.071 A ATOM 23 C LIG 1 -3.280 2.708 -0.168 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -4.468 3.347 -0.576 0.00 0.00 -0.046 A ATOM 25 C LIG 1 -4.356 4.529 -1.499 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -5.696 2.869 -0.095 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -7.008 3.520 -0.437 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -5.705 1.724 0.711 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -4.516 1.078 1.076 0.00 0.00 +0.028 A ENDBRANCH 7 22 BRANCH 4 30 ATOM 30 C LIG 1 -0.384 -2.186 2.141 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 -0.123 -3.020 0.899 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -1.143 -3.799 0.340 0.00 0.00 +0.032 A ATOM 33 C LIG 1 -0.894 -4.549 -0.812 0.00 0.00 +0.088 A ATOM 34 C LIG 1 0.345 -4.495 -1.453 0.00 0.00 +0.027 A ATOM 35 C LIG 1 1.361 -3.715 -0.907 0.00 0.00 +0.002 A ATOM 36 C LIG 1 1.131 -2.991 0.266 0.00 0.00 +0.005 A BRANCH 33 37 ATOM 37 S LIG 1 -2.180 -5.577 -1.486 0.00 0.00 -0.006 S ATOM 38 O LIG 1 -1.881 -5.799 -2.890 0.00 0.00 -0.170 OA ATOM 39 O LIG 1 -3.454 -5.019 -1.076 0.00 0.00 -0.170 OA ATOM 40 C LIG 1 -1.948 -7.110 -0.624 0.00 0.00 +0.200 C ENDBRANCH 33 37 ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 8