REMARK Name = BDB039931 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.817 -0.995 -1.387 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.396 -0.664 -2.000 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.650 -0.288 -3.130 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.447 -0.841 -0.991 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.809 -0.636 -1.126 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.621 -0.876 -0.010 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.030 -1.328 1.196 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.641 -1.529 1.318 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.860 -1.269 0.195 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.621 -1.368 0.011 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.548 -1.257 -1.813 0.00 0.00 -0.036 A ATOM 12 C LIG 1 -3.254 -1.265 -1.250 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -2.098 -0.996 -2.002 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.262 -0.727 -3.364 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.529 -0.731 -3.954 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.658 -0.988 -3.183 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.785 -1.474 -0.944 0.00 0.00 +0.034 C ATOM 18 C LIG 1 -5.897 -2.765 -0.146 0.00 0.00 +0.016 C ATOM 19 C LIG 1 -6.756 -2.573 -1.357 0.00 0.00 +0.016 C BRANCH 17 20 ATOM 20 C LIG 1 -6.360 -0.187 -0.336 0.00 0.00 +0.244 C ATOM 21 F LIG 1 -7.534 -0.479 0.303 0.00 0.00 -0.236 F BRANCH 20 24 ATOM 22 C LIG 1 -4.931 2.545 -0.829 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -4.821 1.725 0.347 0.00 0.00 -0.318 N ATOM 24 C LIG 1 -5.433 0.523 0.604 0.00 0.00 +0.168 A ATOM 25 N LIG 1 -5.015 0.090 1.780 0.00 0.00 -0.132 NA ATOM 26 N LIG 1 -4.139 1.014 2.295 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -4.034 1.989 1.425 0.00 0.00 +0.224 A ENDBRANCH 20 24 ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.023 -1.977 2.616 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.927 -2.409 3.536 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.148 -3.006 2.443 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.316 -0.984 3.215 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.122 -0.675 -0.097 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.635 0.201 0.959 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 5.193 1.598 0.804 0.00 0.00 +0.091 C ATOM 35 C LIG 1 6.225 2.344 1.620 0.00 0.00 -0.015 C ATOM 36 C LIG 1 6.458 3.825 1.412 0.00 0.00 +0.009 C ATOM 37 C LIG 1 5.786 3.345 2.665 0.00 0.00 +0.009 C ATOM 38 C LIG 1 7.379 1.424 1.900 0.00 0.00 +0.023 C ATOM 39 C LIG 1 7.102 0.250 0.970 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7