REMARK Name = BDB032367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.063 3.502 0.898 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.199 2.045 0.657 0.00 0.00 -0.026 A ATOM 3 C LIG 1 -0.791 1.071 0.813 0.00 0.00 +0.061 A ATOM 4 N LIG 1 -0.552 -0.246 0.560 0.00 0.00 -0.256 NA ATOM 5 C LIG 1 0.706 -0.598 0.195 0.00 0.00 +0.134 A ATOM 6 C LIG 1 1.785 0.273 0.042 0.00 0.00 +0.049 A ATOM 7 C LIG 1 1.485 1.621 0.277 0.00 0.00 +0.029 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 3.070 -0.121 -0.337 0.00 0.00 -0.317 N ATOM 9 C LIG 1 4.216 0.377 0.492 0.00 0.00 +0.138 C ATOM 10 C LIG 1 4.119 -0.146 1.933 0.00 0.00 +0.036 C ATOM 11 C LIG 1 5.551 -0.009 -0.081 0.00 0.00 +0.154 A ATOM 12 N LIG 1 6.756 0.363 0.291 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 7.663 -0.265 -0.532 0.00 0.00 -0.125 NA ATOM 14 C LIG 1 6.997 -1.006 -1.400 0.00 0.00 +0.238 A ATOM 15 N LIG 1 5.662 -0.875 -1.132 0.00 0.00 -0.305 N ATOM 16 C LIG 1 4.529 -1.455 -1.818 0.00 0.00 +0.144 C ATOM 17 C LIG 1 3.271 -1.452 -0.939 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 7.530 -1.852 -2.493 0.00 0.00 +0.452 C ATOM 19 F LIG 1 8.867 -1.736 -2.674 0.00 0.00 -0.163 F ATOM 20 F LIG 1 6.941 -1.553 -3.683 0.00 0.00 -0.163 F ATOM 21 F LIG 1 7.271 -3.169 -2.269 0.00 0.00 -0.163 F ENDBRANCH 14 18 ENDBRANCH 6 8 BRANCH 3 22 ATOM 22 C LIG 1 -2.218 1.440 1.208 0.00 0.00 +0.157 C BRANCH 22 23 ATOM 23 N LIG 1 -2.919 0.267 1.757 0.00 0.00 -0.338 N ATOM 24 H LIG 1 -2.443 -0.566 1.405 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.298 0.264 1.436 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -4.822 -0.403 0.291 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -6.207 -0.304 0.011 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -6.701 -0.971 -1.132 0.00 0.00 +0.124 A ATOM 29 N LIG 1 -5.940 -1.705 -1.963 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 -4.629 -1.785 -1.677 0.00 0.00 +0.113 A ATOM 31 C LIG 1 -7.031 0.451 0.876 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -6.505 1.119 1.979 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -4.034 -1.163 -0.594 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -5.145 1.034 2.246 0.00 0.00 +0.023 A BRANCH 28 35 ATOM 35 N LIG 1 -8.052 -0.912 -1.497 0.00 0.00 -0.343 N ATOM 36 H LIG 1 -8.342 0.049 -1.627 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 -8.128 -1.442 -2.362 0.00 0.00 +0.144 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 6