REMARK Name = LIG001437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.133 0.661 0.452 0.00 0.00 -0.282 N ATOM 2 C LIG 1 1.883 0.102 0.688 0.00 0.00 +0.248 C ATOM 3 O LIG 1 1.644 -0.818 1.446 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.910 0.836 -0.148 0.00 0.00 +0.049 A ATOM 5 C LIG 1 1.642 1.758 -0.909 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.012 2.605 -1.805 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.373 2.518 -1.924 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -1.104 1.590 -1.158 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -0.472 0.722 -0.250 0.00 0.00 -0.008 A ATOM 10 C LIG 1 3.100 1.647 -0.613 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.375 -0.889 0.792 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.172 -0.677 0.909 0.00 0.00 +0.219 C ATOM 13 N LIG 1 6.257 -1.333 0.125 0.00 0.00 -0.255 N ATOM 14 H LIG 1 6.664 -1.918 -0.592 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 4.983 -0.891 -0.152 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.428 -1.219 -1.198 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 4.361 0.024 0.916 0.00 0.00 +0.163 C ATOM 18 C LIG 1 5.409 1.036 1.370 0.00 0.00 +0.041 C ATOM 19 C LIG 1 6.618 0.296 1.923 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 9 20 ATOM 20 C LIG 1 -1.253 -0.202 0.499 0.00 0.00 -0.017 C ATOM 21 C LIG 1 -2.574 -0.755 0.737 0.00 0.00 +0.136 C ATOM 22 C LIG 1 -1.356 -1.099 1.435 0.00 0.00 +0.006 C BRANCH 21 23 ATOM 23 C LIG 1 -3.116 -1.823 -0.187 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -3.638 -3.026 0.331 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -4.173 -4.017 -0.499 0.00 0.00 +0.015 A ATOM 26 C LIG 1 -4.200 -3.819 -1.875 0.00 0.00 +0.018 A ATOM 27 BR LIG 1 -4.921 -5.151 -3.004 0.00 0.00 -0.050 Br ATOM 28 C LIG 1 -3.702 -2.642 -2.423 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -3.170 -1.656 -1.584 0.00 0.00 +0.006 A ENDBRANCH 21 23 BRANCH 21 30 ATOM 30 C LIG 1 -3.518 0.095 1.505 0.00 0.00 +0.326 C ATOM 31 O LIG 1 -3.983 -0.237 2.587 0.00 0.00 -0.249 OA BRANCH 30 32 ATOM 32 O LIG 1 -3.842 1.233 0.830 0.00 0.00 -0.459 OA BRANCH 32 33 ATOM 33 C LIG 1 -4.859 2.064 1.431 0.00 0.00 +0.287 C BRANCH 33 34 ATOM 34 C LIG 1 -6.215 1.932 0.715 0.00 0.00 +0.224 C ATOM 35 CL LIG 1 -7.394 3.062 1.456 0.00 0.00 -0.080 Cl ATOM 36 CL LIG 1 -6.867 0.271 0.825 0.00 0.00 -0.080 Cl ATOM 37 CL LIG 1 -6.041 2.362 -1.021 0.00 0.00 -0.080 Cl ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 21 30 ENDBRANCH 9 20 TORSDOF 7