REMARK Name = LIG000151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.783 -2.071 0.437 0.00 0.00 -0.306 N ATOM 2 H LIG 1 1.141 -2.559 -0.383 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 -0.286 -1.212 0.301 0.00 0.00 +0.234 C ATOM 4 O LIG 1 -0.665 -0.469 1.205 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -0.908 -1.209 -1.114 0.00 0.00 +0.164 C ATOM 6 N LIG 1 -2.191 -0.510 -1.124 0.00 0.00 -0.287 N ATOM 7 C LIG 1 -3.324 -1.169 -0.712 0.00 0.00 +0.227 C ATOM 8 O LIG 1 -3.252 -2.368 -0.405 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 -1.984 0.904 -1.422 0.00 0.00 +0.140 C ATOM 10 C LIG 1 -0.497 1.044 -1.784 0.00 0.00 +0.134 C ATOM 11 C LIG 1 -0.048 -0.389 -2.066 0.00 0.00 +0.065 C BRANCH 10 12 ATOM 12 O LIG 1 -0.286 1.847 -2.936 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -0.614 2.742 -2.731 0.00 0.00 +0.210 HD ENDBRANCH 10 12 BRANCH 7 14 ATOM 14 C LIG 1 -4.709 -0.508 -0.700 0.00 0.00 +0.146 C BRANCH 14 15 ATOM 15 C LIG 1 -4.707 0.840 -0.065 0.00 0.00 +0.150 A ATOM 16 O LIG 1 -4.880 1.931 -0.857 0.00 0.00 -0.359 OA ATOM 17 N LIG 1 -4.835 3.079 -0.087 0.00 0.00 -0.083 NA ATOM 18 C LIG 1 -4.649 2.665 1.172 0.00 0.00 +0.081 A ATOM 19 C LIG 1 -4.558 3.645 2.276 0.00 0.00 +0.069 C ATOM 20 C LIG 1 -4.566 1.258 1.239 0.00 0.00 +0.071 A ENDBRANCH 14 15 BRANCH 14 21 ATOM 21 C LIG 1 -5.470 -0.690 -2.036 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -4.852 -0.019 -3.263 0.00 0.00 +0.008 C ATOM 23 C LIG 1 -6.947 -0.296 -1.912 0.00 0.00 +0.008 C ENDBRANCH 14 21 ENDBRANCH 7 14 ENDBRANCH 3 5 BRANCH 1 24 ATOM 24 C LIG 1 1.662 -2.029 1.592 0.00 0.00 +0.112 C BRANCH 24 25 ATOM 25 C LIG 1 2.683 -0.906 1.455 0.00 0.00 -0.027 A ATOM 26 C LIG 1 3.590 -0.843 0.385 0.00 0.00 +0.006 A ATOM 27 C LIG 1 4.501 0.213 0.279 0.00 0.00 +0.009 A ATOM 28 C LIG 1 4.519 1.234 1.235 0.00 0.00 -0.010 A ATOM 29 C LIG 1 3.613 1.184 2.300 0.00 0.00 +0.009 A ATOM 30 C LIG 1 2.707 0.125 2.409 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 5.443 2.357 1.109 0.00 0.00 +0.042 A ATOM 32 C LIG 1 5.193 3.692 0.829 0.00 0.00 +0.053 A ATOM 33 C LIG 1 3.868 4.312 0.557 0.00 0.00 +0.067 C ATOM 34 N LIG 1 6.318 4.505 0.801 0.00 0.00 -0.252 NA ATOM 35 C LIG 1 7.388 3.784 1.048 0.00 0.00 +0.156 A ATOM 36 S LIG 1 7.129 2.117 1.335 0.00 0.00 -0.075 S ENDBRANCH 28 31 ENDBRANCH 24 25 BRANCH 24 37 ATOM 37 C LIG 1 2.294 -3.390 1.922 0.00 0.00 +0.122 C BRANCH 37 41 ATOM 38 C LIG 1 4.590 -5.822 0.151 0.00 0.00 +0.128 C ATOM 39 N LIG 1 3.922 -4.997 1.127 0.00 0.00 -0.318 N ATOM 40 H LIG 1 4.013 -5.244 2.104 0.00 0.00 +0.148 HD ATOM 41 C LIG 1 2.958 -4.087 0.750 0.00 0.00 +0.215 C ATOM 42 O LIG 1 2.633 -3.897 -0.419 0.00 0.00 -0.276 OA ENDBRANCH 37 41 ENDBRANCH 24 37 ENDBRANCH 1 24 TORSDOF 10