REMARK Name = LIG001791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.654 -0.941 0.424 0.00 0.00 -0.289 NA ATOM 2 C LIG 1 2.795 0.499 0.756 0.00 0.00 +0.159 C ATOM 3 C LIG 1 1.475 1.210 0.794 0.00 0.00 +0.124 A ATOM 4 N LIG 1 0.364 0.687 0.178 0.00 0.00 -0.325 N ATOM 5 C LIG 1 -0.686 1.552 0.362 0.00 0.00 +0.069 A ATOM 6 C LIG 1 -0.134 2.588 1.091 0.00 0.00 +0.139 A ATOM 7 C LIG 1 0.362 -0.610 -0.467 0.00 0.00 +0.139 C ATOM 8 N LIG 1 1.199 2.377 1.340 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 1.788 -1.099 -0.758 0.00 0.00 +0.107 C ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.047 1.337 -0.098 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -3.041 0.970 0.824 0.00 0.00 +0.016 A ATOM 12 C LIG 1 -4.328 0.766 0.358 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -5.555 0.352 1.097 0.00 0.00 +0.144 C ATOM 14 N LIG 1 -6.582 0.399 0.065 0.00 0.00 -0.282 N ATOM 15 C LIG 1 -6.044 0.636 -1.192 0.00 0.00 +0.248 C ATOM 16 O LIG 1 -6.598 0.602 -2.272 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -4.619 0.926 -0.995 0.00 0.00 +0.042 A ATOM 18 C LIG 1 -3.667 1.288 -1.927 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -2.365 1.498 -1.465 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 -7.914 -0.149 0.297 0.00 0.00 +0.163 C ATOM 21 C LIG 1 -7.965 -1.647 -0.044 0.00 0.00 +0.240 C ATOM 22 O LIG 1 -7.001 -2.403 0.071 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 -9.202 -2.146 -0.381 0.00 0.00 -0.255 N ATOM 24 H LIG 1 -9.241 -3.138 -0.573 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -10.404 -1.483 -0.398 0.00 0.00 +0.219 C ATOM 26 O LIG 1 -11.455 -2.086 -0.595 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 -10.370 -0.009 -0.072 0.00 0.00 +0.098 C ATOM 28 C LIG 1 -9.026 0.605 -0.432 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 5 10 BRANCH 1 29 ATOM 29 C LIG 1 3.978 -1.544 0.177 0.00 0.00 +0.120 C BRANCH 29 31 ATOM 30 C LIG 1 6.104 -1.039 1.540 0.00 0.00 -0.013 A ATOM 31 C LIG 1 4.833 -1.649 1.429 0.00 0.00 -0.026 A ATOM 32 C LIG 1 4.337 -2.400 2.514 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.073 -2.542 3.689 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.320 -1.940 3.800 0.00 0.00 +0.001 A ATOM 35 C LIG 1 6.829 -1.196 2.736 0.00 0.00 +0.009 A BRANCH 30 40 ATOM 36 C LIG 1 8.414 2.108 -2.738 0.00 0.00 +0.044 C ATOM 37 C LIG 1 7.841 1.295 -1.614 0.00 0.00 -0.050 A ATOM 38 C LIG 1 7.102 1.912 -0.599 0.00 0.00 +0.004 A ATOM 39 C LIG 1 6.544 1.152 0.432 0.00 0.00 +0.009 A ATOM 40 C LIG 1 6.698 -0.241 0.460 0.00 0.00 -0.018 A ATOM 41 C LIG 1 7.434 -0.855 -0.564 0.00 0.00 +0.009 A ATOM 42 C LIG 1 7.994 -0.095 -1.595 0.00 0.00 +0.004 A ENDBRANCH 30 40 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 5