REMARK Name = LIG000353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.451 -1.003 0.786 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.724 -2.148 1.058 0.00 0.00 -0.293 N ATOM 3 C LIG 1 0.735 -2.147 0.954 0.00 0.00 +0.108 C ATOM 4 C LIG 1 1.163 -3.483 1.581 0.00 0.00 +0.029 C ATOM 5 C LIG 1 0.056 -3.761 2.587 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -1.192 -3.264 1.869 0.00 0.00 +0.108 C ATOM 7 O LIG 1 -0.900 0.059 0.476 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.231 -1.998 -0.465 0.00 0.00 -0.007 A ATOM 9 C LIG 1 2.149 -0.995 -0.805 0.00 0.00 +0.034 A ATOM 10 C LIG 1 2.589 -0.865 -2.125 0.00 0.00 +0.065 A ATOM 11 C LIG 1 2.065 -1.743 -3.068 0.00 0.00 +0.136 A ATOM 12 N LIG 1 1.178 -2.724 -2.779 0.00 0.00 -0.261 NA ATOM 13 C LIG 1 0.782 -2.824 -1.492 0.00 0.00 +0.116 A BRANCH 10 14 ATOM 14 N LIG 1 3.503 0.154 -2.517 0.00 0.00 -0.314 N ATOM 15 C LIG 1 4.504 0.758 -1.743 0.00 0.00 +0.055 A ATOM 16 C LIG 1 5.063 1.808 -2.498 0.00 0.00 +0.014 A ATOM 17 C LIG 1 6.078 2.611 -1.912 0.00 0.00 +0.068 A ATOM 18 C LIG 1 6.534 2.309 -0.617 0.00 0.00 +0.016 A ATOM 19 C LIG 1 6.016 1.233 0.089 0.00 0.00 +0.003 A ATOM 20 C LIG 1 4.434 1.762 -3.772 0.00 0.00 +0.029 A ATOM 21 C LIG 1 5.009 0.443 -0.463 0.00 0.00 +0.027 A ATOM 22 C LIG 1 3.532 0.728 -3.772 0.00 0.00 +0.092 A BRANCH 17 23 ATOM 23 C LIG 1 6.719 3.760 -2.594 0.00 0.00 +0.337 C ATOM 24 O LIG 1 7.673 4.386 -2.163 0.00 0.00 -0.245 OA BRANCH 23 25 ATOM 25 O LIG 1 6.153 4.108 -3.760 0.00 0.00 -0.477 OA ATOM 26 H LIG 1 6.683 4.878 -4.054 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 10 14 ENDBRANCH 3 8 BRANCH 1 27 ATOM 27 C LIG 1 -2.997 -1.119 0.774 0.00 0.00 +0.162 C BRANCH 27 29 ATOM 28 C LIG 1 -3.809 0.795 2.094 0.00 0.00 +0.230 C ATOM 29 N LIG 1 -3.541 0.236 0.858 0.00 0.00 -0.302 N ATOM 30 H LIG 1 -3.186 0.879 0.159 0.00 0.00 +0.150 HD ATOM 31 O LIG 1 -3.793 0.147 3.140 0.00 0.00 -0.274 OA BRANCH 28 32 ATOM 32 C LIG 1 -4.086 2.316 2.054 0.00 0.00 +0.137 C ATOM 33 C LIG 1 -2.766 3.036 2.330 0.00 0.00 +0.034 C BRANCH 32 35 ATOM 34 C LIG 1 -5.465 4.027 3.147 0.00 0.00 +0.101 C ATOM 35 N LIG 1 -5.162 2.614 3.017 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 -4.905 2.215 3.923 0.00 0.00 +0.122 HD ENDBRANCH 32 35 ENDBRANCH 28 32 ENDBRANCH 27 29 BRANCH 27 37 ATOM 37 C LIG 1 -3.484 -1.873 -0.484 0.00 0.00 +0.012 C ATOM 38 C LIG 1 -3.168 -1.147 -1.796 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -4.986 -2.160 -0.398 0.00 0.00 +0.009 C ENDBRANCH 27 37 ENDBRANCH 1 27 TORSDOF 9