REMARK Name = LIG001173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.011 0.509 -1.244 0.00 0.00 -0.268 N ATOM 2 H LIG 1 -0.286 -0.279 -1.811 0.00 0.00 +0.156 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.118 0.838 -0.459 0.00 0.00 +0.222 A ATOM 4 N LIG 1 -2.244 0.174 -0.782 0.00 0.00 -0.196 NA ATOM 5 C LIG 1 -3.311 0.523 -0.043 0.00 0.00 +0.147 A ATOM 6 C LIG 1 -3.325 1.480 0.954 0.00 0.00 +0.038 A ATOM 7 C LIG 1 -4.638 1.523 1.468 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -5.418 0.608 0.768 0.00 0.00 +0.107 A ATOM 9 C LIG 1 -2.123 2.126 1.202 0.00 0.00 +0.126 A ATOM 10 N LIG 1 -4.580 -0.014 -0.148 0.00 0.00 -0.318 N ATOM 11 N LIG 1 -1.032 1.805 0.475 0.00 0.00 -0.222 NA BRANCH 8 12 ATOM 12 C LIG 1 -6.819 0.301 0.999 0.00 0.00 +0.263 C ATOM 13 N LIG 1 -7.711 1.374 1.058 0.00 0.00 -0.302 N ATOM 14 C LIG 1 -7.446 2.701 0.521 0.00 0.00 +0.132 C ATOM 15 C LIG 1 -9.076 1.117 1.480 0.00 0.00 +0.132 C ATOM 16 O LIG 1 -7.203 -0.855 1.156 0.00 0.00 -0.268 OA ENDBRANCH 8 12 BRANCH 10 17 ATOM 17 C LIG 1 -4.913 -1.050 -1.111 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -5.149 -2.446 -0.513 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -6.376 -3.005 -1.233 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -6.521 -2.160 -2.490 0.00 0.00 +0.002 C ATOM 21 C LIG 1 -6.108 -0.770 -2.031 0.00 0.00 +0.025 C ENDBRANCH 10 17 ENDBRANCH 1 3 BRANCH 1 25 ATOM 22 C LIG 1 4.037 0.201 -0.078 0.00 0.00 +0.048 A ATOM 23 C LIG 1 2.974 0.394 0.809 0.00 0.00 +0.136 A ATOM 24 N LIG 1 1.659 0.494 0.480 0.00 0.00 -0.238 NA ATOM 25 C LIG 1 1.323 0.410 -0.818 0.00 0.00 +0.125 A ATOM 26 C LIG 1 2.302 0.214 -1.787 0.00 0.00 +0.045 A ATOM 27 C LIG 1 3.647 0.109 -1.414 0.00 0.00 +0.028 A BRANCH 22 31 ATOM 28 N LIG 1 8.214 0.039 1.153 0.00 0.00 -0.174 NA ATOM 29 C LIG 1 7.267 1.142 1.537 0.00 0.00 +0.128 C ATOM 30 C LIG 1 5.804 0.665 1.613 0.00 0.00 +0.122 C ATOM 31 N LIG 1 5.356 0.104 0.325 0.00 0.00 -0.326 N ATOM 32 C LIG 1 6.403 -0.445 -0.552 0.00 0.00 +0.122 C ATOM 33 C LIG 1 7.573 -1.002 0.281 0.00 0.00 +0.128 C BRANCH 28 34 ATOM 34 S LIG 1 9.715 0.628 0.587 0.00 0.00 +0.054 S ATOM 35 O LIG 1 9.519 0.952 -0.812 0.00 0.00 -0.153 OA ATOM 36 O LIG 1 10.137 1.650 1.522 0.00 0.00 -0.153 OA BRANCH 34 38 ATOM 37 C LIG 1 11.433 -1.238 -0.306 0.00 0.00 +0.030 C ATOM 38 C LIG 1 10.802 -0.718 0.755 0.00 0.00 +0.145 C ENDBRANCH 34 38 ENDBRANCH 28 34 ENDBRANCH 22 31 ENDBRANCH 1 25 TORSDOF 7