REMARK Name = LIG001488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.452 -0.907 3.076 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.995 -1.256 2.868 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -0.085 -1.100 3.923 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.262 -1.438 3.760 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.727 -1.943 2.538 0.00 0.00 -0.033 A ATOM 6 C LIG 1 0.811 -2.125 1.493 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.535 -1.788 1.656 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 3.183 -2.329 2.369 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 N LIG 1 3.796 -1.777 1.153 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 5.081 -2.456 0.871 0.00 0.00 +0.103 C ATOM 11 C LIG 1 5.964 -1.705 -0.153 0.00 0.00 +0.120 C ATOM 12 N LIG 1 6.296 -0.335 0.312 0.00 0.00 -0.323 N ATOM 13 C LIG 1 5.425 0.172 1.390 0.00 0.00 +0.120 C ATOM 14 C LIG 1 3.966 -0.303 1.210 0.00 0.00 +0.103 C BRANCH 12 15 ATOM 15 C LIG 1 6.701 0.519 -0.734 0.00 0.00 +0.101 A ATOM 16 C LIG 1 7.825 0.191 -1.523 0.00 0.00 +0.147 A ATOM 17 F LIG 1 8.522 -0.930 -1.269 0.00 0.00 -0.203 F ATOM 18 C LIG 1 8.279 0.998 -2.570 0.00 0.00 +0.040 A ATOM 19 C LIG 1 7.615 2.181 -2.873 0.00 0.00 +0.006 A ATOM 20 C LIG 1 6.500 2.541 -2.124 0.00 0.00 +0.040 A ATOM 21 C LIG 1 6.057 1.723 -1.078 0.00 0.00 +0.147 A ATOM 22 F LIG 1 4.948 2.123 -0.435 0.00 0.00 -0.203 F ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 O LIG 1 -3.134 -0.533 1.874 0.00 0.00 -0.487 OA BRANCH 23 29 ATOM 24 N LIG 1 -5.444 1.224 -1.282 0.00 0.00 -0.281 N ATOM 25 C LIG 1 -4.820 2.462 -1.225 0.00 0.00 +0.248 C ATOM 26 O LIG 1 -5.021 3.434 -1.928 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -3.847 2.398 -0.130 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -3.865 1.106 0.393 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -3.040 0.759 1.449 0.00 0.00 +0.126 A ATOM 30 C LIG 1 -2.186 1.747 1.954 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -2.176 3.050 1.412 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -3.018 3.389 0.355 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -4.840 0.266 -0.361 0.00 0.00 +0.148 C BRANCH 24 40 ATOM 34 O LIG 1 -8.090 -1.806 -5.006 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 -7.592 -0.959 -4.271 0.00 0.00 +0.219 C ATOM 36 N LIG 1 -6.291 -0.557 -4.433 0.00 0.00 -0.255 N ATOM 37 H LIG 1 -5.772 -1.071 -5.133 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 -5.514 0.071 -3.486 0.00 0.00 +0.240 C ATOM 39 O LIG 1 -4.289 -0.004 -3.543 0.00 0.00 -0.273 OA ATOM 40 C LIG 1 -6.292 0.837 -2.401 0.00 0.00 +0.163 C ATOM 41 C LIG 1 -7.488 -0.003 -1.962 0.00 0.00 +0.041 C ATOM 42 C LIG 1 -8.374 -0.289 -3.165 0.00 0.00 +0.098 C ENDBRANCH 24 40 ENDBRANCH 23 29 ENDBRANCH 1 23 TORSDOF 7