REMARK Name = BDB057928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.910 -0.491 1.037 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.621 -1.471 1.981 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.207 -1.222 3.005 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.187 -2.737 1.873 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.066 -3.019 0.824 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.401 -2.030 -0.115 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.804 -0.763 -0.006 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.791 2.627 1.682 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.258 1.893 0.854 0.00 0.00 +0.247 C ATOM 10 N LIG 1 3.889 1.646 0.821 0.00 0.00 -0.295 N ATOM 11 C LIG 1 3.038 2.383 1.759 0.00 0.00 +0.127 C ATOM 12 C LIG 1 1.564 2.384 1.341 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.035 1.034 1.124 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -0.344 0.864 1.152 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -1.137 1.799 1.242 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.011 -0.012 0.793 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.255 0.545 0.083 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 6.128 1.245 -0.154 0.00 0.00 +0.037 A ATOM 19 C LIG 1 7.246 0.529 0.284 0.00 0.00 +0.014 A ATOM 20 C LIG 1 8.092 -0.077 -0.648 0.00 0.00 +0.015 A ATOM 21 C LIG 1 7.824 0.051 -2.012 0.00 0.00 +0.013 A ATOM 22 I LIG 1 9.083 -0.849 -3.399 0.00 0.00 -0.044 I ATOM 23 C LIG 1 6.722 0.787 -2.454 0.00 0.00 +0.015 A ATOM 24 C LIG 1 5.875 1.393 -1.522 0.00 0.00 +0.014 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -3.345 -2.365 -1.251 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -4.296 -1.238 -1.632 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -5.460 -0.920 -0.765 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -6.288 0.124 -1.173 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -7.405 0.489 -0.411 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.693 -0.197 0.767 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.868 -1.243 1.181 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.978 0.843 -2.419 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -6.685 1.759 -2.823 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -4.860 0.423 -3.097 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -4.630 0.911 -3.957 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.754 -1.607 0.419 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -4.031 -0.590 -2.729 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4