REMARK Name = LIG001413 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.031 0.390 -0.104 0.00 0.00 +0.210 A ATOM 2 C LIG 1 -1.047 0.044 0.861 0.00 0.00 +0.288 A ATOM 3 O LIG 1 -0.777 -0.705 1.792 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -2.255 0.661 0.637 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -2.413 1.735 -0.239 0.00 0.00 +0.353 A ATOM 6 O LIG 1 -3.499 2.317 -0.298 0.00 0.00 -0.244 OA ATOM 7 N LIG 1 -1.267 2.087 -0.990 0.00 0.00 -0.181 N ATOM 8 N LIG 1 -0.091 1.366 -0.948 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 4.269 -0.635 1.979 0.00 0.00 +0.115 C ATOM 10 C LIG 1 3.674 -0.592 0.571 0.00 0.00 +0.122 C ATOM 11 N LIG 1 2.408 0.142 0.558 0.00 0.00 -0.295 N ATOM 12 C LIG 1 1.323 -0.388 -0.138 0.00 0.00 +0.272 C ATOM 13 O LIG 1 1.334 -1.430 -0.782 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 2.339 1.389 1.317 0.00 0.00 +0.108 C ATOM 15 C LIG 1 3.708 1.858 1.796 0.00 0.00 +0.020 C ATOM 16 C LIG 1 4.435 0.769 2.585 0.00 0.00 +0.018 C BRANCH 9 17 ATOM 17 C LIG 1 5.592 -1.370 1.958 0.00 0.00 +0.312 C ATOM 18 O LIG 1 6.222 -1.655 0.951 0.00 0.00 -0.250 OA BRANCH 17 19 ATOM 19 O LIG 1 5.973 -1.668 3.233 0.00 0.00 -0.465 OA BRANCH 19 21 ATOM 20 C LIG 1 6.962 -3.874 3.301 0.00 0.00 +0.048 C ATOM 21 C LIG 1 7.213 -2.380 3.366 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 9 17 ENDBRANCH 1 12 BRANCH 7 22 ATOM 22 C LIG 1 -1.211 3.193 -1.923 0.00 0.00 +0.071 A ATOM 23 C LIG 1 -0.064 3.386 -2.723 0.00 0.00 +0.031 A ATOM 24 C LIG 1 0.057 4.446 -3.643 0.00 0.00 -0.046 A ATOM 25 C LIG 1 1.315 4.570 -4.457 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -1.005 5.351 -3.789 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -0.938 6.505 -4.749 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -2.142 5.184 -2.993 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -2.242 4.125 -2.079 0.00 0.00 +0.028 A ENDBRANCH 7 22 BRANCH 4 30 ATOM 30 C LIG 1 -3.390 0.245 1.447 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 -4.149 -0.886 0.789 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -3.786 -2.221 1.026 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -4.461 -3.281 0.400 0.00 0.00 -0.044 A ATOM 34 C LIG 1 -5.516 -2.981 -0.472 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.880 -1.658 -0.722 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.199 -0.615 -0.097 0.00 0.00 +0.005 A BRANCH 33 37 ATOM 37 C LIG 1 -4.037 -4.712 0.678 0.00 0.00 +0.013 C ATOM 38 C LIG 1 -5.134 -5.484 1.411 0.00 0.00 +0.012 C ATOM 39 C LIG 1 -3.617 -5.441 -0.600 0.00 0.00 +0.012 C ENDBRANCH 33 37 ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 8