REMARK Name = LIG001372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.530 -2.867 -2.685 0.00 0.00 +0.247 C ATOM 2 N LIG 1 2.249 -2.380 -2.446 0.00 0.00 -0.295 N ATOM 3 C LIG 1 1.109 -3.203 -2.858 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -0.172 -2.382 -3.042 0.00 0.00 +0.126 C ATOM 5 N LIG 1 -0.513 -1.581 -1.861 0.00 0.00 -0.298 N ATOM 6 C LIG 1 -1.840 -1.219 -1.670 0.00 0.00 +0.218 C ATOM 7 O LIG 1 -2.698 -1.438 -2.527 0.00 0.00 -0.276 OA ATOM 8 C LIG 1 0.579 -1.283 -0.928 0.00 0.00 +0.126 C ATOM 9 C LIG 1 1.947 -1.202 -1.623 0.00 0.00 +0.127 C ATOM 10 O LIG 1 3.757 -3.977 -3.159 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 6.866 -0.432 -1.689 0.00 0.00 +0.135 A ATOM 12 C LIG 1 5.915 0.062 -2.582 0.00 0.00 +0.047 A ATOM 13 C LIG 1 4.819 -0.732 -2.916 0.00 0.00 +0.016 A ATOM 14 C LIG 1 4.689 -2.009 -2.352 0.00 0.00 +0.037 A ATOM 15 C LIG 1 5.677 -2.515 -1.498 0.00 0.00 +0.016 A ATOM 16 C LIG 1 6.774 -1.721 -1.163 0.00 0.00 +0.047 A BRANCH 11 17 ATOM 17 O LIG 1 7.971 0.357 -1.374 0.00 0.00 -0.395 OA BRANCH 17 18 ATOM 18 C LIG 1 7.775 1.110 -0.229 0.00 0.00 +0.516 C ATOM 19 O LIG 1 6.774 1.135 0.474 0.00 0.00 -0.202 OA BRANCH 18 20 ATOM 20 O LIG 1 8.905 1.835 -0.010 0.00 0.00 -0.434 OA BRANCH 20 21 ATOM 21 C LIG 1 8.855 2.658 1.159 0.00 0.00 +0.236 C BRANCH 21 22 ATOM 22 C LIG 1 10.183 3.394 1.324 0.00 0.00 +0.041 C BRANCH 22 24 ATOM 23 C LIG 1 11.771 1.426 0.885 0.00 0.00 +0.004 C ATOM 24 C LIG 1 11.329 2.520 1.844 0.00 0.00 -0.000 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -2.173 -0.470 -0.391 0.00 0.00 +0.130 C BRANCH 25 26 ATOM 26 C LIG 1 -3.681 -0.475 -0.112 0.00 0.00 +0.183 C ATOM 27 C LIG 1 -4.138 -1.803 0.408 0.00 0.00 +0.163 A ATOM 28 N LIG 1 -5.479 -2.079 0.610 0.00 0.00 -0.275 N ATOM 29 C LIG 1 -5.498 -3.434 0.919 0.00 0.00 +0.135 A ATOM 30 N LIG 1 -4.262 -3.892 0.964 0.00 0.00 -0.134 NA ATOM 31 C LIG 1 -6.691 -4.246 1.252 0.00 0.00 +0.088 C ATOM 32 C LIG 1 -6.491 -1.122 0.474 0.00 0.00 +0.097 A ATOM 33 S LIG 1 -8.046 -1.591 0.021 0.00 0.00 -0.075 S ATOM 34 C LIG 1 -8.558 0.027 -0.145 0.00 0.00 -0.008 A ATOM 35 C LIG 1 -7.552 0.930 0.174 0.00 0.00 -0.029 A ATOM 36 C LIG 1 -7.709 2.417 0.059 0.00 0.00 +0.045 C ATOM 37 C LIG 1 -9.949 0.311 -0.615 0.00 0.00 +0.052 C ATOM 38 C LIG 1 -6.347 0.248 0.629 0.00 0.00 +0.035 A ATOM 39 C LIG 1 -5.150 0.887 1.205 0.00 0.00 +0.076 C ATOM 40 N LIG 1 -3.411 -2.872 0.651 0.00 0.00 -0.132 NA ATOM 41 N LIG 1 -3.941 0.567 0.890 0.00 0.00 -0.271 NA BRANCH 39 42 ATOM 42 C LIG 1 -5.341 1.940 2.249 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -4.438 3.011 2.305 0.00 0.00 +0.011 A ATOM 44 C LIG 1 -4.588 4.006 3.275 0.00 0.00 +0.020 A ATOM 45 C LIG 1 -5.632 3.924 4.195 0.00 0.00 +0.041 A ATOM 46 CL LIG 1 -5.820 5.151 5.386 0.00 0.00 -0.084 Cl ATOM 47 C LIG 1 -6.522 2.851 4.161 0.00 0.00 +0.020 A ATOM 48 C LIG 1 -6.375 1.854 3.191 0.00 0.00 +0.011 A ENDBRANCH 39 42 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 10