REMARK Name = BDB055717 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.299 1.429 -2.395 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.403 0.646 -3.538 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.560 0.558 -4.210 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.692 -0.089 -3.981 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.892 -0.052 -3.264 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.011 0.744 -2.113 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.913 1.516 -1.703 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 1.452 3.382 -2.018 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.461 2.161 -1.878 0.00 0.00 +0.250 C ATOM 10 N LIG 1 2.472 1.460 -1.220 0.00 0.00 -0.290 N ATOM 11 C LIG 1 2.451 0.014 -0.940 0.00 0.00 +0.110 C ATOM 12 C LIG 1 1.258 -0.551 -0.150 0.00 0.00 +0.063 C ATOM 13 C LIG 1 1.760 -1.832 0.550 0.00 0.00 +0.147 C ATOM 14 C LIG 1 3.191 -1.474 0.807 0.00 0.00 -0.014 A ATOM 15 C LIG 1 4.115 -2.027 1.674 0.00 0.00 +0.006 A ATOM 16 C LIG 1 5.394 -1.455 1.734 0.00 0.00 +0.001 A ATOM 17 C LIG 1 5.729 -0.334 0.951 0.00 0.00 +0.004 A ATOM 18 C LIG 1 4.787 0.213 0.084 0.00 0.00 -0.041 A ATOM 19 C LIG 1 4.971 1.450 -0.741 0.00 0.00 +0.054 C ATOM 20 C LIG 1 3.553 -0.404 -0.007 0.00 0.00 -0.018 A ATOM 21 C LIG 1 3.644 2.238 -0.770 0.00 0.00 +0.113 C BRANCH 13 22 ATOM 22 O LIG 1 1.002 -2.059 1.729 0.00 0.00 -0.387 OA ATOM 23 H LIG 1 1.482 -1.640 2.466 0.00 0.00 +0.210 HD ENDBRANCH 13 22 ENDBRANCH 1 9 BRANCH 6 24 ATOM 24 C LIG 1 -3.268 0.711 -1.271 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -3.135 -0.081 0.033 0.00 0.00 +0.074 A ATOM 26 C LIG 1 -4.279 -0.089 0.980 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -4.114 -0.785 2.176 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -5.149 -0.833 3.119 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -6.354 -0.182 2.859 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.525 0.513 1.662 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -2.839 -1.473 2.443 0.00 0.00 +0.272 A ATOM 32 O LIG 1 -2.649 -2.070 3.497 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -1.896 -1.397 1.448 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -0.990 -1.844 1.615 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 -5.492 0.562 0.721 0.00 0.00 +0.010 A ATOM 36 N LIG 1 -2.028 -0.718 0.277 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4