REMARK Name = BDB032303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.064 -2.415 0.821 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.742 -1.933 0.290 0.00 0.00 -0.012 A ATOM 3 C LIG 1 -0.030 -2.675 -0.640 0.00 0.00 +0.118 A ATOM 4 N LIG 1 1.162 -2.307 -1.165 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 1.721 -1.144 -0.764 0.00 0.00 +0.121 A ATOM 6 C LIG 1 1.061 -0.336 0.160 0.00 0.00 +0.044 A ATOM 7 C LIG 1 -0.168 -0.731 0.693 0.00 0.00 +0.010 A BRANCH 5 8 ATOM 8 N LIG 1 2.924 -0.769 -1.321 0.00 0.00 -0.315 N ATOM 9 C LIG 1 3.886 0.073 -0.621 0.00 0.00 +0.110 C ATOM 10 C LIG 1 5.254 -0.375 -1.165 0.00 0.00 +0.013 C ATOM 11 C LIG 1 4.908 -0.984 -2.525 0.00 0.00 +0.024 C ATOM 12 C LIG 1 3.584 -1.687 -2.243 0.00 0.00 +0.107 C BRANCH 10 13 ATOM 13 C LIG 1 6.289 0.744 -1.268 0.00 0.00 +0.077 C BRANCH 13 14 ATOM 14 C LIG 1 6.630 1.355 0.078 0.00 0.00 +0.341 C ATOM 15 F LIG 1 7.137 0.403 0.899 0.00 0.00 -0.209 F ATOM 16 F LIG 1 7.602 2.286 -0.087 0.00 0.00 -0.209 F ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 N LIG 1 -3.157 -1.561 0.366 0.00 0.00 -0.339 N ATOM 18 H LIG 1 -3.027 -1.321 -0.612 0.00 0.00 +0.146 HD BRANCH 17 22 ATOM 19 C LIG 1 -5.768 2.586 0.534 0.00 0.00 +0.124 A ATOM 20 C LIG 1 -4.985 1.613 1.209 0.00 0.00 +0.023 A ATOM 21 C LIG 1 -4.474 0.518 0.463 0.00 0.00 +0.008 A ATOM 22 C LIG 1 -3.648 -0.468 1.103 0.00 0.00 +0.035 A ATOM 23 C LIG 1 -3.460 -0.374 2.491 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -3.965 0.695 3.225 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -4.822 0.464 -0.902 0.00 0.00 +0.030 A ATOM 26 C LIG 1 -5.600 1.463 -1.459 0.00 0.00 +0.113 A ATOM 27 C LIG 1 -4.705 1.684 2.590 0.00 0.00 +0.012 A ATOM 28 N LIG 1 -6.067 2.518 -0.773 0.00 0.00 -0.240 NA BRANCH 19 29 ATOM 29 N LIG 1 -6.300 3.697 1.210 0.00 0.00 -0.343 N ATOM 30 H LIG 1 -6.918 3.372 1.946 0.00 0.00 +0.144 HD ATOM 31 H LIG 1 -5.543 4.231 1.624 0.00 0.00 +0.144 HD ENDBRANCH 19 29 ENDBRANCH 17 22 ENDBRANCH 1 17 TORSDOF 7