REMARK Name = LIG001286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.556 -1.163 -0.638 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.451 -2.110 -0.389 0.00 0.00 -0.287 N ATOM 3 C LIG 1 1.576 -2.162 -1.328 0.00 0.00 +0.163 C ATOM 4 C LIG 1 1.071 -3.088 -2.422 0.00 0.00 +0.052 C ATOM 5 C LIG 1 0.253 -4.130 -1.622 0.00 0.00 +0.070 C ATOM 6 C LIG 1 0.060 -3.500 -0.210 0.00 0.00 +0.127 C ATOM 7 O LIG 1 -0.465 -0.335 -1.550 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 2.271 -0.859 -1.750 0.00 0.00 +0.234 C ATOM 9 N LIG 1 2.624 -0.072 -0.670 0.00 0.00 -0.307 N ATOM 10 H LIG 1 2.419 -0.427 0.254 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 2.627 -0.635 -2.904 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 3.443 1.120 -0.806 0.00 0.00 +0.103 C ATOM 13 C LIG 1 3.448 1.998 0.440 0.00 0.00 -0.024 A ATOM 14 C LIG 1 4.410 3.030 0.496 0.00 0.00 -0.042 A ATOM 15 C LIG 1 4.474 3.883 1.605 0.00 0.00 +0.004 A ATOM 16 C LIG 1 3.595 3.709 2.670 0.00 0.00 +0.000 A ATOM 17 C LIG 1 2.635 2.702 2.620 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.323 3.227 -0.685 0.00 0.00 +0.035 C ATOM 19 C LIG 1 5.883 1.899 -1.188 0.00 0.00 +0.007 C ATOM 20 C LIG 1 2.550 1.863 1.506 0.00 0.00 +0.006 A ATOM 21 C LIG 1 4.898 0.725 -1.134 0.00 0.00 +0.027 C ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 22 ATOM 22 N LIG 1 -1.004 -4.449 -2.298 0.00 0.00 -0.326 NA ATOM 23 H LIG 1 -0.800 -4.883 -3.200 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -1.501 -3.587 -2.532 0.00 0.00 +0.119 HD ENDBRANCH 5 22 BRANCH 1 25 ATOM 25 C LIG 1 -1.791 -1.144 0.301 0.00 0.00 +0.162 C BRANCH 25 26 ATOM 26 C LIG 1 -3.008 -1.911 -0.282 0.00 0.00 +0.018 C ATOM 27 C LIG 1 -3.558 -1.323 -1.597 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -4.748 -2.129 -2.118 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -5.853 -2.241 -1.073 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -5.326 -2.814 0.238 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -4.135 -2.016 0.765 0.00 0.00 +0.006 C ENDBRANCH 25 26 BRANCH 25 33 ATOM 32 C LIG 1 -1.557 1.004 1.537 0.00 0.00 +0.230 C ATOM 33 N LIG 1 -2.132 0.265 0.518 0.00 0.00 -0.302 N ATOM 34 H LIG 1 -2.344 0.787 -0.325 0.00 0.00 +0.150 HD ATOM 35 O LIG 1 -0.778 0.506 2.345 0.00 0.00 -0.274 OA BRANCH 32 36 ATOM 36 C LIG 1 -1.973 2.497 1.502 0.00 0.00 +0.137 C ATOM 37 C LIG 1 -0.975 3.317 0.692 0.00 0.00 +0.034 C BRANCH 36 39 ATOM 38 C LIG 1 -1.149 3.229 3.717 0.00 0.00 +0.101 C ATOM 39 N LIG 1 -2.295 3.043 2.838 0.00 0.00 -0.309 NA ATOM 40 H LIG 1 -2.749 3.947 2.715 0.00 0.00 +0.122 HD ENDBRANCH 36 39 ENDBRANCH 32 36 ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 8