REMARK Name = BDB025831 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.309 -0.263 0.182 0.00 0.00 +0.021 A ATOM 2 C LIG 1 1.760 0.310 1.331 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.538 0.564 2.395 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.415 0.682 1.405 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.463 0.488 0.328 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.058 -0.203 -0.795 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.432 -0.503 -0.884 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.748 1.049 0.326 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -2.025 2.007 -0.775 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -2.464 3.419 -0.282 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -1.258 4.210 0.241 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.512 3.440 0.769 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -4.758 4.032 0.292 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.754 2.101 1.341 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -2.441 1.335 1.599 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 6.419 -1.377 -0.009 0.00 0.00 +0.125 A ATOM 17 N LIG 1 5.688 -1.702 1.076 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 4.384 -1.326 1.109 0.00 0.00 +0.121 A ATOM 19 C LIG 1 3.731 -0.631 0.096 0.00 0.00 +0.003 A ATOM 20 C LIG 1 4.517 -0.310 -1.015 0.00 0.00 +0.013 A ATOM 21 C LIG 1 5.867 -0.682 -1.071 0.00 0.00 +0.044 A BRANCH 16 24 ATOM 22 C LIG 1 8.822 -1.085 -2.032 0.00 0.00 +0.109 C ATOM 23 C LIG 1 8.840 -1.758 -0.692 0.00 0.00 +0.215 C ATOM 24 N LIG 1 7.734 -1.818 0.090 0.00 0.00 -0.271 N ATOM 25 H LIG 1 7.897 -2.301 0.965 0.00 0.00 +0.156 HD ATOM 26 O LIG 1 9.883 -2.275 -0.280 0.00 0.00 -0.276 OA ENDBRANCH 16 24 ENDBRANCH 1 19 BRANCH 6 27 ATOM 27 N LIG 1 -0.718 -0.629 -1.892 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -0.254 -0.706 -2.788 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -1.973 -1.168 -1.942 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -2.526 -1.288 -3.038 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -2.647 -1.694 -0.719 0.00 0.00 +0.062 A ATOM 32 C LIG 1 -2.116 -2.745 0.142 0.00 0.00 +0.036 A ATOM 33 C LIG 1 -2.836 -3.132 1.213 0.00 0.00 +0.080 A ATOM 34 C LIG 1 -4.171 -2.550 1.505 0.00 0.00 +0.252 A ATOM 35 O LIG 1 -4.760 -2.886 2.527 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -4.668 -1.673 0.548 0.00 0.00 -0.318 N ATOM 37 C LIG 1 -6.002 -1.130 0.735 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -3.901 -1.248 -0.524 0.00 0.00 +0.102 A BRANCH 32 39 ATOM 39 C LIG 1 -0.847 -3.468 -0.195 0.00 0.00 +0.372 C ATOM 40 F LIG 1 -0.568 -3.474 -1.524 0.00 0.00 -0.204 F ATOM 41 F LIG 1 0.223 -2.910 0.428 0.00 0.00 -0.204 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 6 27 TORSDOF 6