REMARK Name = BDB004983 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.837 1.736 -0.727 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.536 1.202 -1.065 0.00 0.00 -0.029 A ATOM 3 C LIG 1 -1.507 1.028 -0.063 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.778 0.501 -0.352 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -3.074 0.202 -1.686 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -2.119 0.363 -2.692 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.853 0.853 -2.383 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 -3.732 0.413 0.686 0.00 0.00 -0.299 N ATOM 9 H LIG 1 -3.302 0.490 1.600 0.00 0.00 +0.154 HD BRANCH 8 10 ATOM 10 C LIG 1 -4.879 -0.411 0.771 0.00 0.00 +0.123 A ATOM 11 N LIG 1 -5.099 -1.410 -0.107 0.00 0.00 -0.240 NA ATOM 12 C LIG 1 -6.219 -2.152 0.022 0.00 0.00 +0.113 A ATOM 13 C LIG 1 -7.165 -1.948 1.008 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -6.949 -0.919 1.923 0.00 0.00 +0.059 A ATOM 15 C LIG 1 -5.792 -0.140 1.790 0.00 0.00 +0.056 A BRANCH 14 16 ATOM 16 C LIG 1 -7.951 -0.620 3.003 0.00 0.00 +0.418 C ATOM 17 F LIG 1 -7.376 -0.143 4.142 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -8.861 0.316 2.621 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -8.672 -1.712 3.381 0.00 0.00 -0.166 F ENDBRANCH 14 16 ENDBRANCH 8 10 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 1.802 0.649 -0.842 0.00 0.00 -0.324 N ATOM 21 H LIG 1 1.497 -0.163 -0.313 0.00 0.00 +0.148 HD BRANCH 20 25 ATOM 22 C LIG 1 6.442 -0.608 -0.235 0.00 0.00 +0.063 A ATOM 23 C LIG 1 5.428 0.372 -0.179 0.00 0.00 +0.088 A ATOM 24 C LIG 1 4.128 -0.013 -0.563 0.00 0.00 +0.041 A ATOM 25 C LIG 1 3.125 0.976 -0.485 0.00 0.00 +0.130 A ATOM 26 N LIG 1 3.390 2.235 -0.106 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 4.650 2.505 0.227 0.00 0.00 +0.223 A ATOM 28 C LIG 1 3.880 -1.336 -1.012 0.00 0.00 +0.013 A ATOM 29 C LIG 1 4.893 -2.283 -1.063 0.00 0.00 +0.002 A ATOM 30 N LIG 1 5.671 1.641 0.222 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 6.170 -1.920 -0.670 0.00 0.00 +0.015 A BRANCH 22 35 ATOM 32 N LIG 1 8.197 0.908 0.584 0.00 0.00 -0.325 N ATOM 33 H LIG 1 7.504 1.649 0.621 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 9.157 1.102 0.831 0.00 0.00 +0.145 HD ATOM 35 C LIG 1 7.863 -0.341 0.154 0.00 0.00 +0.244 C ATOM 36 O LIG 1 8.721 -1.216 0.093 0.00 0.00 -0.270 OA ENDBRANCH 22 35 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 7