REMARK Name = BDB061282 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -4.648 -2.656 -2.737 0.00 0.00 -0.287 OA ATOM 2 C LIG 1 -3.933 -2.126 -1.898 0.00 0.00 +0.197 A ATOM 3 C LIG 1 -2.890 -2.829 -1.113 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -2.170 -2.091 -0.166 0.00 0.00 +0.151 A ATOM 5 C LIG 1 -1.161 -2.694 0.615 0.00 0.00 +0.051 A ATOM 6 C LIG 1 -0.899 -4.056 0.422 0.00 0.00 +0.128 A ATOM 7 C LIG 1 -1.610 -4.805 -0.516 0.00 0.00 +0.092 A ATOM 8 O LIG 1 -2.407 -0.754 0.062 0.00 0.00 -0.454 OA ATOM 9 C LIG 1 -3.346 -0.093 -0.703 0.00 0.00 +0.139 A ATOM 10 C LIG 1 -2.602 -4.190 -1.282 0.00 0.00 +0.135 A ATOM 11 C LIG 1 -4.103 -0.688 -1.632 0.00 0.00 +0.098 A ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 -3.475 1.344 -0.389 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -3.646 2.306 -1.397 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -3.753 3.663 -1.078 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -3.683 4.067 0.249 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -3.503 3.137 1.266 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -3.396 1.780 0.945 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -3.793 5.399 0.514 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -3.731 5.532 1.474 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 9 12 BRANCH 6 20 ATOM 20 O LIG 1 0.077 -4.657 1.168 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 0.144 -5.596 0.926 0.00 0.00 +0.292 HD ENDBRANCH 6 20 BRANCH 10 22 ATOM 22 O LIG 1 -3.282 -4.941 -2.197 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 -2.972 -5.860 -2.196 0.00 0.00 +0.292 HD ENDBRANCH 10 22 BRANCH 5 24 ATOM 24 C LIG 1 -0.378 -1.878 1.626 0.00 0.00 +0.127 C BRANCH 24 25 ATOM 25 N LIG 1 0.537 -0.909 0.998 0.00 0.00 -0.295 NA ATOM 26 C LIG 1 1.008 0.072 2.000 0.00 0.00 +0.103 C ATOM 27 C LIG 1 2.008 1.100 1.419 0.00 0.00 +0.120 C ATOM 28 N LIG 1 3.158 0.407 0.787 0.00 0.00 -0.327 N ATOM 29 C LIG 1 2.714 -0.579 -0.222 0.00 0.00 +0.120 C ATOM 30 C LIG 1 1.713 -1.581 0.400 0.00 0.00 +0.103 C BRANCH 28 31 ATOM 31 C LIG 1 4.216 1.265 0.451 0.00 0.00 +0.030 A ATOM 32 C LIG 1 4.889 1.960 1.474 0.00 0.00 +0.026 A ATOM 33 C LIG 1 5.957 2.819 1.200 0.00 0.00 +0.040 A ATOM 34 C LIG 1 6.373 2.989 -0.110 0.00 0.00 +0.124 A ATOM 35 F LIG 1 7.396 3.810 -0.380 0.00 0.00 -0.205 F ATOM 36 C LIG 1 5.745 2.313 -1.145 0.00 0.00 +0.040 A ATOM 37 C LIG 1 4.677 1.453 -0.863 0.00 0.00 +0.026 A ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 7