REMARK Name = LIG000294 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.917 0.026 2.969 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -1.771 0.385 2.026 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.887 0.351 3.835 0.00 0.00 +0.234 C ATOM 4 O LIG 1 -0.842 0.118 5.038 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 10 ATOM 5 N LIG 1 -5.516 -0.468 0.491 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -6.124 -1.371 1.347 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -7.180 -1.956 1.204 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -5.240 -1.512 2.510 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -4.078 -0.774 2.275 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -3.081 -0.710 3.240 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -3.296 -1.407 4.438 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -4.473 -2.154 4.654 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -5.465 -2.214 3.679 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.167 -0.138 0.925 0.00 0.00 +0.146 C BRANCH 5 21 ATOM 15 O LIG 1 -8.020 -0.736 -4.413 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -7.465 -0.598 -3.325 0.00 0.00 +0.219 C ATOM 17 N LIG 1 -6.431 -1.419 -2.949 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -6.189 -2.150 -3.602 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -5.631 -1.316 -1.833 0.00 0.00 +0.240 C ATOM 20 O LIG 1 -4.643 -2.041 -1.704 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -5.974 -0.173 -0.865 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -7.461 0.174 -0.946 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -7.817 0.528 -2.381 0.00 0.00 +0.098 C ENDBRANCH 5 21 ENDBRANCH 1 10 BRANCH 3 24 ATOM 24 C LIG 1 0.226 1.142 3.130 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 0.126 0.970 1.656 0.00 0.00 -0.320 N ATOM 26 H LIG 1 0.501 0.038 1.441 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 1.043 1.805 0.995 0.00 0.00 +0.123 A ATOM 28 N LIG 1 2.114 1.196 0.476 0.00 0.00 -0.213 NA ATOM 29 C LIG 1 3.006 1.970 -0.177 0.00 0.00 +0.162 A ATOM 30 N LIG 1 2.872 3.299 -0.348 0.00 0.00 -0.236 NA ATOM 31 C LIG 1 1.775 3.865 0.186 0.00 0.00 +0.116 A ATOM 32 C LIG 1 0.824 3.160 0.879 0.00 0.00 +0.063 A BRANCH 29 33 ATOM 33 C LIG 1 4.223 1.326 -0.709 0.00 0.00 +0.019 A ATOM 34 C LIG 1 4.572 0.010 -0.357 0.00 0.00 +0.012 A ATOM 35 C LIG 1 5.750 -0.589 -0.828 0.00 0.00 +0.009 A ATOM 36 C LIG 1 6.628 0.105 -1.672 0.00 0.00 -0.018 A ATOM 37 C LIG 1 6.276 1.411 -2.043 0.00 0.00 +0.009 A ATOM 38 C LIG 1 5.100 2.007 -1.572 0.00 0.00 +0.012 A BRANCH 36 39 ATOM 39 C LIG 1 7.888 -0.509 -2.128 0.00 0.00 -0.018 A ATOM 40 C LIG 1 9.116 0.156 -1.957 0.00 0.00 +0.008 A ATOM 41 C LIG 1 10.319 -0.431 -2.356 0.00 0.00 +0.001 A ATOM 42 C LIG 1 10.317 -1.697 -2.936 0.00 0.00 +0.000 A ATOM 43 C LIG 1 9.112 -2.371 -3.124 0.00 0.00 +0.001 A ATOM 44 C LIG 1 7.909 -1.782 -2.724 0.00 0.00 +0.008 A ENDBRANCH 36 39 ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7