REMARK Name = LIG000118 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.087 -2.434 4.420 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.475 -1.614 3.367 0.00 0.00 -0.284 N ATOM 3 H LIG 1 -0.462 -2.042 2.446 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.000 -2.111 5.602 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -0.766 -0.236 3.400 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -1.159 0.393 2.226 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -1.378 -0.155 0.855 0.00 0.00 +0.146 C ATOM 8 N LIG 1 -1.713 1.018 0.061 0.00 0.00 -0.282 N ATOM 9 C LIG 1 -1.861 2.141 0.861 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -2.262 3.248 0.550 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -1.455 1.757 2.220 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -1.365 2.555 3.344 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -0.964 1.939 4.521 0.00 0.00 +0.003 A ATOM 14 C LIG 1 -0.673 0.559 4.553 0.00 0.00 +0.023 A BRANCH 8 15 ATOM 15 C LIG 1 -2.253 0.874 -1.287 0.00 0.00 +0.163 C ATOM 16 C LIG 1 -3.762 0.564 -1.249 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -4.314 0.005 -0.302 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 -4.461 0.845 -2.404 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -5.442 0.601 -2.400 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -3.983 1.389 -3.573 0.00 0.00 +0.219 C ATOM 21 O LIG 1 -4.715 1.496 -4.557 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -2.513 1.757 -3.606 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -1.982 2.066 -2.210 0.00 0.00 +0.041 C ENDBRANCH 8 15 ENDBRANCH 2 5 BRANCH 1 24 ATOM 24 C LIG 1 0.272 -3.868 3.969 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 1.616 -3.930 3.341 0.00 0.00 -0.320 N ATOM 26 H LIG 1 2.198 -3.216 3.789 0.00 0.00 +0.148 HD BRANCH 25 29 ATOM 27 C LIG 1 1.927 -1.953 0.397 0.00 0.00 +0.221 A ATOM 28 N LIG 1 2.012 -2.353 1.674 0.00 0.00 -0.199 NA ATOM 29 C LIG 1 1.594 -3.588 1.982 0.00 0.00 +0.124 A ATOM 30 C LIG 1 1.094 -4.454 1.040 0.00 0.00 +0.063 A ATOM 31 C LIG 1 1.041 -3.970 -0.241 0.00 0.00 +0.118 A ATOM 32 N LIG 1 1.426 -2.724 -0.577 0.00 0.00 -0.223 NA BRANCH 27 33 ATOM 33 N LIG 1 2.277 -0.625 0.180 0.00 0.00 -0.284 N ATOM 34 H LIG 1 2.616 -0.218 1.045 0.00 0.00 +0.155 HD BRANCH 33 38 ATOM 35 C LIG 1 2.861 1.864 -3.196 0.00 0.00 +0.120 A ATOM 36 C LIG 1 2.549 0.521 -3.381 0.00 0.00 +0.047 A ATOM 37 C LIG 1 2.339 -0.319 -2.276 0.00 0.00 +0.027 A ATOM 38 C LIG 1 2.447 0.158 -0.968 0.00 0.00 +0.034 A ATOM 39 C LIG 1 2.695 1.529 -0.799 0.00 0.00 +0.027 A ATOM 40 C LIG 1 2.908 2.371 -1.899 0.00 0.00 +0.047 A BRANCH 35 42 ATOM 41 C LIG 1 3.510 2.213 -5.447 0.00 0.00 +0.277 C ATOM 42 O LIG 1 3.133 2.768 -4.191 0.00 0.00 -0.495 OA ENDBRANCH 35 42 ENDBRANCH 33 38 ENDBRANCH 27 33 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8