REMARK Name = LIG001667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.609 -2.353 0.264 0.00 0.00 +0.129 A ATOM 2 C LIG 1 1.808 -1.805 1.553 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.510 -2.596 2.678 0.00 0.00 +0.012 A ATOM 4 C LIG 1 1.023 -3.894 2.534 0.00 0.00 +0.001 A ATOM 5 C LIG 1 0.822 -4.419 1.263 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.113 -3.654 0.131 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 2.287 -0.428 1.752 0.00 0.00 -0.009 A ATOM 8 C LIG 1 3.579 -0.029 1.427 0.00 0.00 -0.010 A ATOM 9 C LIG 1 4.706 -0.817 0.843 0.00 0.00 +0.145 C ATOM 10 N LIG 1 5.803 0.143 0.830 0.00 0.00 -0.282 N ATOM 11 C LIG 1 5.381 1.413 1.188 0.00 0.00 +0.248 C ATOM 12 O LIG 1 6.001 2.458 1.147 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.986 1.291 1.624 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.156 2.267 2.142 0.00 0.00 +0.013 A ATOM 15 C LIG 1 1.861 1.886 2.483 0.00 0.00 +0.001 A ATOM 16 C LIG 1 1.434 0.558 2.293 0.00 0.00 +0.009 A BRANCH 10 17 ATOM 17 C LIG 1 7.043 -0.139 0.114 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.940 0.280 -1.362 0.00 0.00 +0.240 C ATOM 19 O LIG 1 5.888 0.271 -2.001 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 8.131 0.564 -1.991 0.00 0.00 -0.255 N ATOM 21 H LIG 1 8.067 0.808 -2.969 0.00 0.00 +0.158 HD ATOM 22 C LIG 1 9.400 0.472 -1.476 0.00 0.00 +0.219 C ATOM 23 O LIG 1 10.385 0.640 -2.190 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 9.517 0.069 -0.025 0.00 0.00 +0.098 C ATOM 25 C LIG 1 8.282 0.477 0.762 0.00 0.00 +0.041 C ENDBRANCH 10 17 ENDBRANCH 2 7 BRANCH 1 26 ATOM 26 O LIG 1 1.923 -1.528 -0.789 0.00 0.00 -0.482 OA BRANCH 26 27 ATOM 27 C LIG 1 1.565 -1.927 -2.107 0.00 0.00 +0.326 C BRANCH 27 29 ATOM 28 O LIG 1 -0.504 -2.536 -3.181 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 0.075 -1.780 -2.407 0.00 0.00 +0.270 C ATOM 30 N LIG 1 -0.481 -0.694 -1.742 0.00 0.00 -0.204 N ATOM 31 H LIG 1 0.091 -0.204 -1.058 0.00 0.00 +0.177 HD BRANCH 30 32 ATOM 32 N LIG 1 -1.812 -0.413 -1.857 0.00 0.00 -0.186 NA ATOM 33 C LIG 1 -2.230 0.587 -1.147 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 C LIG 1 -3.626 1.001 -1.156 0.00 0.00 +0.113 A ATOM 35 C LIG 1 -4.185 2.097 -0.432 0.00 0.00 +0.029 A ATOM 36 C LIG 1 -5.542 2.090 -0.746 0.00 0.00 +0.070 A ATOM 37 C LIG 1 -6.442 3.029 -0.221 0.00 0.00 +0.028 A ATOM 38 C LIG 1 -5.932 4.000 0.646 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -4.579 4.030 0.976 0.00 0.00 +0.001 A ATOM 40 N LIG 1 -5.707 1.027 -1.602 0.00 0.00 -0.259 N ATOM 41 C LIG 1 -3.693 3.085 0.446 0.00 0.00 +0.012 A ATOM 42 N LIG 1 -4.564 0.367 -1.876 0.00 0.00 -0.169 NA BRANCH 40 43 ATOM 43 C LIG 1 -6.943 0.603 -2.250 0.00 0.00 +0.179 C BRANCH 43 44 ATOM 44 C LIG 1 -7.828 -0.194 -1.323 0.00 0.00 -0.026 A ATOM 45 C LIG 1 -9.109 0.268 -0.985 0.00 0.00 +0.005 A ATOM 46 C LIG 1 -9.929 -0.477 -0.136 0.00 0.00 +0.000 A ATOM 47 C LIG 1 -9.482 -1.692 0.380 0.00 0.00 +0.000 A ATOM 48 C LIG 1 -8.215 -2.166 0.045 0.00 0.00 +0.000 A ATOM 49 C LIG 1 -7.394 -1.423 -0.804 0.00 0.00 +0.005 A ENDBRANCH 43 44 ENDBRANCH 40 43 ENDBRANCH 33 34 ENDBRANCH 30 32 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9