REMARK Name = LIG001267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.042 -2.321 0.935 0.00 0.00 +0.130 C ENDROOT BRANCH 1 9 ATOM 2 C LIG 1 -3.237 3.217 -0.412 0.00 0.00 +0.052 C ATOM 3 C LIG 1 -3.401 1.796 0.023 0.00 0.00 -0.008 A ATOM 4 C LIG 1 -3.376 0.646 -0.754 0.00 0.00 -0.029 A ATOM 5 C LIG 1 -3.127 0.657 -2.234 0.00 0.00 +0.045 C ATOM 6 C LIG 1 -3.621 -0.548 0.048 0.00 0.00 +0.035 A ATOM 7 C LIG 1 -3.813 -1.910 -0.465 0.00 0.00 +0.076 C ATOM 8 N LIG 1 -3.266 -2.952 0.046 0.00 0.00 -0.271 NA ATOM 9 C LIG 1 -2.405 -2.959 1.235 0.00 0.00 +0.183 C ATOM 10 C LIG 1 -3.101 -2.381 2.428 0.00 0.00 +0.163 A ATOM 11 N LIG 1 -3.651 -1.108 2.470 0.00 0.00 -0.275 N ATOM 12 C LIG 1 -4.089 -0.976 3.784 0.00 0.00 +0.135 A ATOM 13 C LIG 1 -4.831 0.171 4.359 0.00 0.00 +0.088 C ATOM 14 N LIG 1 -3.823 -2.079 4.451 0.00 0.00 -0.134 NA ATOM 15 N LIG 1 -3.214 -2.956 3.606 0.00 0.00 -0.132 NA ATOM 16 C LIG 1 -3.660 -0.217 1.391 0.00 0.00 +0.097 A ATOM 17 S LIG 1 -3.621 1.446 1.675 0.00 0.00 -0.075 S BRANCH 7 18 ATOM 18 C LIG 1 -4.723 -2.108 -1.636 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.883 -1.337 -1.796 0.00 0.00 +0.011 A ATOM 20 C LIG 1 -6.721 -1.554 -2.893 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -6.409 -2.547 -3.821 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -7.441 -2.808 -5.171 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -5.269 -3.333 -3.658 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -4.429 -3.118 -2.563 0.00 0.00 +0.011 A ENDBRANCH 7 18 ENDBRANCH 1 9 BRANCH 1 25 ATOM 25 C LIG 1 0.054 -2.799 1.873 0.00 0.00 +0.218 C ATOM 26 N LIG 1 1.199 -2.013 1.943 0.00 0.00 -0.298 N ATOM 27 C LIG 1 1.462 -0.832 1.115 0.00 0.00 +0.126 C ATOM 28 C LIG 1 2.960 -0.551 0.923 0.00 0.00 +0.127 C ATOM 29 N LIG 1 3.713 -0.513 2.182 0.00 0.00 -0.297 N ATOM 30 C LIG 1 4.953 0.095 2.339 0.00 0.00 +0.244 C ATOM 31 O LIG 1 5.531 0.123 3.428 0.00 0.00 -0.273 OA ATOM 32 C LIG 1 3.104 -1.188 3.333 0.00 0.00 +0.127 C ATOM 33 C LIG 1 2.232 -2.379 2.919 0.00 0.00 +0.126 C ATOM 34 O LIG 1 -0.041 -3.849 2.504 0.00 0.00 -0.276 OA BRANCH 30 35 ATOM 35 C LIG 1 5.620 0.692 1.099 0.00 0.00 +0.286 C BRANCH 35 36 ATOM 36 O LIG 1 4.961 1.882 0.684 0.00 0.00 -0.260 OA BRANCH 36 37 ATOM 37 N LIG 1 5.496 2.288 -0.540 0.00 0.00 -0.105 N ATOM 38 C LIG 1 6.349 3.345 -0.622 0.00 0.00 +0.277 C ATOM 39 O LIG 1 6.930 3.968 0.245 0.00 0.00 -0.267 OA ATOM 40 C LIG 1 6.413 3.675 -2.047 0.00 0.00 +0.052 A ATOM 41 C LIG 1 5.498 2.869 -2.709 0.00 0.00 +0.052 A ATOM 42 C LIG 1 5.297 2.957 -4.072 0.00 0.00 +0.014 A ATOM 43 C LIG 1 6.065 3.894 -4.770 0.00 0.00 +0.001 A ATOM 44 C LIG 1 6.996 4.715 -4.097 0.00 0.00 +0.001 A ATOM 45 C LIG 1 7.176 4.613 -2.714 0.00 0.00 +0.014 A ATOM 46 C LIG 1 4.848 2.022 -1.707 0.00 0.00 +0.277 C ATOM 47 O LIG 1 3.901 1.291 -1.935 0.00 0.00 -0.267 OA ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 1 25 TORSDOF 6