REMARK Name = LIG001260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.629 -1.676 0.156 0.00 0.00 -0.029 A ATOM 2 C LIG 1 2.732 -0.818 0.223 0.00 0.00 +0.020 A ATOM 3 C LIG 1 4.024 -1.326 0.033 0.00 0.00 +0.068 A ATOM 4 C LIG 1 4.251 -2.665 -0.234 0.00 0.00 +0.100 A ATOM 5 N LIG 1 5.532 -3.194 -0.423 0.00 0.00 -0.131 NA ATOM 6 N LIG 1 6.528 -2.442 -0.389 0.00 0.00 -0.061 NA ATOM 7 N LIG 1 6.410 -1.101 -0.153 0.00 0.00 -0.198 N ATOM 8 C LIG 1 3.146 -3.519 -0.313 0.00 0.00 +0.031 A ATOM 9 C LIG 1 5.205 -0.472 0.102 0.00 0.00 +0.278 A ATOM 10 O LIG 1 5.086 0.720 0.373 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 1.847 -3.033 -0.124 0.00 0.00 +0.007 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 7.664 -0.350 -0.126 0.00 0.00 +0.199 C ATOM 13 C LIG 1 7.675 0.715 -1.228 0.00 0.00 +0.244 C ATOM 14 O LIG 1 7.091 0.593 -2.303 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 8.482 1.807 -0.999 0.00 0.00 -0.255 N ATOM 16 H LIG 1 8.501 2.502 -1.734 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 9.294 2.049 0.080 0.00 0.00 +0.219 C ATOM 18 O LIG 1 10.020 3.039 0.119 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 9.310 0.998 1.165 0.00 0.00 +0.099 C ATOM 20 C LIG 1 7.983 0.258 1.239 0.00 0.00 +0.046 C ENDBRANCH 7 12 BRANCH 1 21 ATOM 21 C LIG 1 0.231 -1.148 0.331 0.00 0.00 +0.141 C BRANCH 21 25 ATOM 22 N LIG 1 -2.434 -0.190 -0.115 0.00 0.00 -0.269 N ATOM 23 H LIG 1 -1.942 -0.066 0.753 0.00 0.00 +0.156 HD ATOM 24 C LIG 1 -1.673 -0.504 -1.208 0.00 0.00 +0.304 C ATOM 25 N LIG 1 -0.383 -0.863 -0.944 0.00 0.00 -0.295 N ATOM 26 H LIG 1 0.122 -1.111 -1.787 0.00 0.00 +0.151 HD ATOM 27 O LIG 1 -2.033 -0.499 -2.380 0.00 0.00 -0.252 OA BRANCH 22 31 ATOM 28 C LIG 1 -6.569 0.794 0.153 0.00 0.00 -0.042 A ATOM 29 C LIG 1 -6.010 0.379 -1.069 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -4.652 0.051 -1.188 0.00 0.00 +0.023 A ATOM 31 C LIG 1 -3.807 0.130 -0.086 0.00 0.00 +0.035 A ATOM 32 C LIG 1 -4.347 0.535 1.138 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -5.705 0.863 1.256 0.00 0.00 +0.006 A BRANCH 28 35 ATOM 34 C LIG 1 -8.911 -0.083 -0.153 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -8.064 1.147 0.240 0.00 0.00 -0.013 C ATOM 36 C LIG 1 -8.379 2.311 -0.725 0.00 0.00 +0.015 C ATOM 37 C LIG 1 -8.521 1.585 1.650 0.00 0.00 +0.015 C ENDBRANCH 28 35 ENDBRANCH 22 31 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 5