REMARK Name = BDB019946 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.327 0.705 -0.063 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.108 0.032 0.111 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.052 -1.284 -0.342 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -1.025 -1.946 -0.947 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -2.255 -1.298 -1.126 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.390 0.028 -0.684 0.00 0.00 +0.014 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -0.078 3.041 -1.468 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -0.912 3.195 -0.225 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -1.500 2.082 0.423 0.00 0.00 -0.015 A ATOM 10 C LIG 1 -2.279 2.301 1.578 0.00 0.00 +0.011 A ATOM 11 C LIG 1 -2.462 3.584 2.091 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -1.867 4.662 1.454 0.00 0.00 +0.124 A ATOM 13 F LIG 1 -2.035 5.896 1.947 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -1.097 4.481 0.311 0.00 0.00 +0.042 A ENDBRANCH 1 9 BRANCH 3 15 ATOM 15 C LIG 1 1.331 -2.027 -0.174 0.00 0.00 +0.245 C ATOM 16 N LIG 1 2.480 -1.268 -0.114 0.00 0.00 -0.305 N ATOM 17 H LIG 1 2.437 -0.287 -0.351 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 1.328 -3.252 -0.133 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 3.793 -1.883 -0.010 0.00 0.00 +0.100 C ATOM 20 C LIG 1 4.057 -2.408 1.405 0.00 0.00 +0.033 C BRANCH 19 21 ATOM 21 C LIG 1 4.855 -0.891 -0.461 0.00 0.00 -0.027 A ATOM 22 C LIG 1 5.170 0.251 0.299 0.00 0.00 +0.020 A ATOM 23 C LIG 1 6.140 1.169 -0.140 0.00 0.00 +0.090 A ATOM 24 C LIG 1 6.785 0.933 -1.349 0.00 0.00 +0.135 A ATOM 25 F LIG 1 7.712 1.792 -1.793 0.00 0.00 -0.205 F ATOM 26 C LIG 1 6.484 -0.184 -2.121 0.00 0.00 +0.039 A ATOM 27 C LIG 1 5.520 -1.092 -1.681 0.00 0.00 +0.008 A BRANCH 23 28 ATOM 28 C LIG 1 6.496 2.393 0.650 0.00 0.00 +0.420 C ATOM 29 F LIG 1 6.249 3.549 -0.025 0.00 0.00 -0.166 F ATOM 30 F LIG 1 5.789 2.495 1.814 0.00 0.00 -0.166 F ATOM 31 F LIG 1 7.806 2.431 1.016 0.00 0.00 -0.166 F ENDBRANCH 23 28 ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 32 ATOM 32 C LIG 1 -3.419 -2.022 -1.766 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 N LIG 1 -4.481 -2.260 -0.812 0.00 0.00 -0.313 N ATOM 34 C LIG 1 -5.646 -1.494 -0.673 0.00 0.00 +0.204 A ATOM 35 N LIG 1 -6.054 -0.480 -1.349 0.00 0.00 -0.268 NA ATOM 36 H LIG 1 -5.389 -0.264 -2.089 0.00 0.00 +0.190 HD ATOM 37 N LIG 1 -6.309 -2.074 0.412 0.00 0.00 -0.320 N ATOM 38 C LIG 1 -7.515 -1.529 0.981 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -5.553 -3.112 0.932 0.00 0.00 +0.106 A ATOM 40 C LIG 1 -4.446 -3.231 0.186 0.00 0.00 +0.107 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 7