REMARK Name = LIG001661 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.461 0.555 2.442 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.194 0.001 1.830 0.00 0.00 -0.010 A ATOM 3 C LIG 1 0.075 0.132 0.461 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.264 -0.361 -0.084 0.00 0.00 +0.005 A ATOM 5 C LIG 1 2.216 -0.983 0.733 0.00 0.00 -0.033 A ATOM 6 C LIG 1 1.955 -1.102 2.105 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.767 -0.609 2.649 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 3.501 -1.527 0.145 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 N LIG 1 4.710 -0.933 0.739 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 4.853 0.496 0.359 0.00 0.00 +0.103 C ATOM 11 C LIG 1 6.162 1.129 0.892 0.00 0.00 +0.120 C ATOM 12 N LIG 1 7.355 0.355 0.488 0.00 0.00 -0.325 N ATOM 13 C LIG 1 7.224 -1.074 0.856 0.00 0.00 +0.120 C ATOM 14 C LIG 1 5.913 -1.673 0.291 0.00 0.00 +0.103 C BRANCH 12 15 ATOM 15 C LIG 1 8.042 0.654 -0.693 0.00 0.00 +0.066 A ATOM 16 C LIG 1 7.572 1.512 -1.711 0.00 0.00 +0.147 A ATOM 17 F LIG 1 6.363 2.088 -1.629 0.00 0.00 -0.203 F ATOM 18 C LIG 1 8.313 1.789 -2.860 0.00 0.00 +0.078 A ATOM 19 C LIG 1 9.565 1.220 -3.013 0.00 0.00 +0.126 A ATOM 20 F LIG 1 10.283 1.482 -4.111 0.00 0.00 -0.205 F ATOM 21 C LIG 1 10.086 0.390 -2.034 0.00 0.00 +0.040 A ATOM 22 C LIG 1 9.332 0.118 -0.887 0.00 0.00 +0.029 A ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 O LIG 1 -2.578 0.537 1.547 0.00 0.00 -0.487 OA BRANCH 23 29 ATOM 24 N LIG 1 -6.391 0.189 -0.388 0.00 0.00 -0.281 N ATOM 25 C LIG 1 -6.600 -1.133 -0.024 0.00 0.00 +0.248 C ATOM 26 O LIG 1 -7.575 -1.829 -0.229 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -5.402 -1.568 0.702 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -4.549 -0.474 0.828 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -3.337 -0.595 1.486 0.00 0.00 +0.126 A ATOM 30 C LIG 1 -2.999 -1.855 1.995 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -3.874 -2.954 1.862 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.099 -2.815 1.210 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -5.170 0.727 0.200 0.00 0.00 +0.148 C BRANCH 24 40 ATOM 34 O LIG 1 -11.237 2.377 -1.829 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 -10.127 1.918 -1.573 0.00 0.00 +0.219 C ATOM 36 N LIG 1 -9.676 1.843 -0.279 0.00 0.00 -0.255 N ATOM 37 H LIG 1 -10.321 2.154 0.434 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 -8.419 1.492 0.160 0.00 0.00 +0.240 C ATOM 39 O LIG 1 -8.118 1.623 1.345 0.00 0.00 -0.273 OA ATOM 40 C LIG 1 -7.421 1.067 -0.929 0.00 0.00 +0.163 C ATOM 41 C LIG 1 -8.158 0.480 -2.133 0.00 0.00 +0.041 C ATOM 42 C LIG 1 -9.161 1.497 -2.655 0.00 0.00 +0.098 C ENDBRANCH 24 40 ENDBRANCH 23 29 ENDBRANCH 1 23 TORSDOF 7