REMARK Name = LIG001677 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.542 -3.445 -0.606 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.206 -2.915 -1.075 0.00 0.00 -0.010 A ATOM 3 C LIG 1 0.120 -1.778 -1.889 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.120 -1.313 -2.335 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.299 -1.983 -1.984 0.00 0.00 -0.033 A ATOM 6 C LIG 1 -2.211 -3.132 -1.186 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.972 -3.596 -0.740 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 -3.645 -1.487 -2.469 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 N LIG 1 -4.564 -1.134 -1.376 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 -4.044 0.006 -0.580 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -5.141 0.772 0.196 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -6.141 1.364 -0.731 0.00 0.00 -0.325 N ATOM 13 C LIG 1 -6.258 0.657 -2.025 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -5.927 -0.845 -1.887 0.00 0.00 +0.103 C BRANCH 12 15 ATOM 15 C LIG 1 -7.315 1.756 -0.062 0.00 0.00 +0.066 A ATOM 16 C LIG 1 -8.572 1.130 -0.195 0.00 0.00 +0.147 A ATOM 17 F LIG 1 -8.723 0.052 -0.982 0.00 0.00 -0.203 F ATOM 18 C LIG 1 -9.695 1.570 0.502 0.00 0.00 +0.078 A ATOM 19 C LIG 1 -9.578 2.656 1.354 0.00 0.00 +0.126 A ATOM 20 F LIG 1 -10.653 3.086 2.028 0.00 0.00 -0.205 F ATOM 21 C LIG 1 -8.362 3.303 1.521 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -7.240 2.852 0.819 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 2.512 -2.417 -0.380 0.00 0.00 -0.487 OA BRANCH 23 29 ATOM 24 N LIG 1 5.587 0.242 1.013 0.00 0.00 -0.279 N ATOM 25 C LIG 1 5.004 0.451 2.258 0.00 0.00 +0.248 C ATOM 26 O LIG 1 5.412 1.124 3.185 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 3.752 -0.309 2.287 0.00 0.00 +0.045 A ATOM 28 C LIG 1 3.628 -0.990 1.081 0.00 0.00 +0.024 A ATOM 29 C LIG 1 2.532 -1.799 0.834 0.00 0.00 +0.126 A ATOM 30 C LIG 1 1.553 -1.885 1.832 0.00 0.00 +0.046 A ATOM 31 C LIG 1 1.691 -1.188 3.051 0.00 0.00 +0.004 A ATOM 32 C LIG 1 2.807 -0.388 3.291 0.00 0.00 +0.013 A ATOM 33 C LIG 1 4.812 -0.711 0.216 0.00 0.00 +0.148 C BRANCH 24 35 ATOM 34 C LIG 1 8.000 0.216 1.522 0.00 0.00 +0.042 C ATOM 35 C LIG 1 6.906 0.795 0.603 0.00 0.00 +0.112 C ATOM 36 C LIG 1 7.330 0.445 -0.856 0.00 0.00 +0.243 C ATOM 37 O LIG 1 6.947 -0.547 -1.476 0.00 0.00 -0.273 OA ATOM 38 N LIG 1 8.256 1.271 -1.453 0.00 0.00 -0.255 N ATOM 39 H LIG 1 8.512 1.013 -2.397 0.00 0.00 +0.158 HD ATOM 40 C LIG 1 8.575 2.556 -1.104 0.00 0.00 +0.219 C ATOM 41 O LIG 1 9.209 3.279 -1.867 0.00 0.00 -0.275 OA ATOM 42 C LIG 1 8.145 3.008 0.264 0.00 0.00 +0.099 C ATOM 43 C LIG 1 6.846 2.339 0.686 0.00 0.00 +0.044 C ENDBRANCH 24 35 ENDBRANCH 23 29 ENDBRANCH 1 23 TORSDOF 7