REMARK Name = LIG000028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.031 2.051 2.279 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.625 1.500 2.361 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -0.446 2.360 2.641 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.748 1.863 2.740 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.006 0.497 2.569 0.00 0.00 -0.033 A ATOM 6 C LIG 1 -0.933 -0.366 2.313 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.369 0.130 2.214 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 -3.419 -0.040 2.683 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 N LIG 1 -4.365 0.610 1.760 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 -5.762 0.214 2.065 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -6.138 -1.240 1.684 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -5.825 -1.516 0.262 0.00 0.00 -0.327 N ATOM 13 C LIG 1 -4.438 -1.155 -0.097 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -4.087 0.289 0.338 0.00 0.00 +0.103 C BRANCH 12 15 ATOM 15 C LIG 1 -6.868 -1.335 -0.649 0.00 0.00 +0.032 A ATOM 16 C LIG 1 -8.098 -1.981 -0.442 0.00 0.00 +0.061 A ATOM 17 C LIG 1 -9.156 -1.835 -1.338 0.00 0.00 +0.125 A ATOM 18 F LIG 1 -10.313 -2.469 -1.100 0.00 0.00 -0.205 F ATOM 19 C LIG 1 -9.030 -1.051 -2.473 0.00 0.00 +0.038 A ATOM 20 C LIG 1 -7.821 -0.413 -2.717 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -6.755 -0.562 -1.817 0.00 0.00 +0.023 A ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 O LIG 1 2.871 1.325 1.375 0.00 0.00 -0.487 OA BRANCH 22 28 ATOM 23 N LIG 1 5.636 -0.047 -1.604 0.00 0.00 -0.281 N ATOM 24 C LIG 1 5.091 0.700 -2.639 0.00 0.00 +0.248 C ATOM 25 O LIG 1 5.474 0.773 -3.791 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 3.932 1.409 -2.088 0.00 0.00 +0.045 A ATOM 27 C LIG 1 3.857 1.125 -0.725 0.00 0.00 +0.024 A ATOM 28 C LIG 1 2.854 1.673 0.056 0.00 0.00 +0.126 A ATOM 29 C LIG 1 1.918 2.499 -0.578 0.00 0.00 +0.046 A ATOM 30 C LIG 1 2.008 2.779 -1.958 0.00 0.00 +0.004 A ATOM 31 C LIG 1 3.031 2.232 -2.731 0.00 0.00 +0.013 A ATOM 32 C LIG 1 4.979 0.226 -0.330 0.00 0.00 +0.148 C BRANCH 23 39 ATOM 33 O LIG 1 10.502 -2.198 -0.292 0.00 0.00 -0.275 OA ATOM 34 C LIG 1 9.469 -1.768 -0.796 0.00 0.00 +0.219 C ATOM 35 N LIG 1 9.283 -0.423 -0.993 0.00 0.00 -0.255 N ATOM 36 H LIG 1 10.015 0.164 -0.615 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 8.071 0.207 -1.165 0.00 0.00 +0.240 C ATOM 38 O LIG 1 7.946 1.396 -0.880 0.00 0.00 -0.273 OA ATOM 39 C LIG 1 6.942 -0.682 -1.715 0.00 0.00 +0.163 C ATOM 40 C LIG 1 6.992 -2.038 -1.016 0.00 0.00 +0.041 C ATOM 41 C LIG 1 8.351 -2.678 -1.251 0.00 0.00 +0.098 C ENDBRANCH 23 39 ENDBRANCH 22 28 ENDBRANCH 1 22 TORSDOF 7