REMARK Name = LIG000083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.180 1.719 -3.090 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.769 1.177 -2.238 0.00 0.00 -0.284 N ATOM 3 H LIG 1 -0.481 1.200 -1.261 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.099 1.827 -4.309 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.016 0.617 -2.559 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -2.808 0.112 -1.537 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -2.556 0.025 -0.068 0.00 0.00 +0.146 C ATOM 8 N LIG 1 -3.797 -0.531 0.451 0.00 0.00 -0.282 N ATOM 9 C LIG 1 -4.657 -0.906 -0.564 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -5.699 -1.522 -0.480 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -4.053 -0.454 -1.822 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -4.563 -0.549 -3.101 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -3.779 -0.043 -4.134 0.00 0.00 +0.003 A ATOM 14 C LIG 1 -2.520 0.534 -3.865 0.00 0.00 +0.023 A BRANCH 8 15 ATOM 15 C LIG 1 -3.918 -0.924 1.851 0.00 0.00 +0.163 C ATOM 16 C LIG 1 -3.712 -2.432 1.997 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -2.663 -2.984 1.662 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 -4.765 -3.166 2.477 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -4.609 -4.161 2.555 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -6.050 -2.755 2.719 0.00 0.00 +0.219 C ATOM 21 O LIG 1 -6.900 -3.559 3.093 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -6.373 -1.303 2.479 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -5.155 -0.402 2.579 0.00 0.00 +0.041 C ENDBRANCH 8 15 ENDBRANCH 2 5 BRANCH 1 24 ATOM 24 C LIG 1 1.402 2.249 -2.322 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 1.421 1.708 -0.943 0.00 0.00 -0.320 N ATOM 26 H LIG 1 1.716 0.724 -0.976 0.00 0.00 +0.148 HD BRANCH 25 29 ATOM 27 C LIG 1 4.370 1.883 1.047 0.00 0.00 +0.224 A ATOM 28 N LIG 1 3.369 1.424 0.269 0.00 0.00 -0.199 NA ATOM 29 C LIG 1 2.434 2.278 -0.158 0.00 0.00 +0.124 A ATOM 30 C LIG 1 2.436 3.607 0.183 0.00 0.00 +0.063 A ATOM 31 C LIG 1 3.474 4.008 0.979 0.00 0.00 +0.118 A ATOM 32 N LIG 1 4.437 3.178 1.414 0.00 0.00 -0.222 NA BRANCH 27 34 ATOM 33 C LIG 1 6.201 1.520 2.570 0.00 0.00 +0.138 C ATOM 34 N LIG 1 5.357 0.983 1.506 0.00 0.00 -0.273 N BRANCH 34 35 ATOM 35 C LIG 1 5.394 -0.409 1.279 0.00 0.00 +0.036 A ATOM 36 C LIG 1 5.673 -1.331 2.303 0.00 0.00 +0.023 A ATOM 37 C LIG 1 5.711 -2.709 2.059 0.00 0.00 +0.002 A ATOM 38 C LIG 1 5.473 -3.198 0.779 0.00 0.00 +0.000 A ATOM 39 C LIG 1 5.196 -2.310 -0.254 0.00 0.00 +0.002 A ATOM 40 C LIG 1 5.157 -0.934 -0.003 0.00 0.00 +0.023 A ENDBRANCH 34 35 ENDBRANCH 27 34 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 7