REMARK Name = BDB032330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.473 -0.243 -0.462 0.00 0.00 -0.000 A ATOM 2 C LIG 1 -0.242 0.956 -0.368 0.00 0.00 +0.150 A ATOM 3 N LIG 1 -1.600 0.980 -0.183 0.00 0.00 -0.228 NA ATOM 4 C LIG 1 -2.292 -0.170 -0.067 0.00 0.00 +0.122 A ATOM 5 C LIG 1 -1.627 -1.391 -0.108 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.249 -1.429 -0.308 0.00 0.00 +0.010 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.677 -0.123 0.149 0.00 0.00 -0.306 N ATOM 8 C LIG 1 -4.186 1.253 0.391 0.00 0.00 +0.182 C ATOM 9 C LIG 1 -5.676 1.307 0.512 0.00 0.00 +0.151 A ATOM 10 N LIG 1 -6.453 2.296 0.892 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 -7.758 1.860 0.810 0.00 0.00 -0.125 NA ATOM 12 C LIG 1 -7.755 0.611 0.378 0.00 0.00 +0.238 A ATOM 13 N LIG 1 -6.457 0.239 0.165 0.00 0.00 -0.305 N ATOM 14 C LIG 1 -5.926 -1.028 -0.290 0.00 0.00 +0.144 C ATOM 15 C LIG 1 -4.489 -0.884 -0.817 0.00 0.00 +0.128 C BRANCH 12 16 ATOM 16 C LIG 1 -8.908 -0.287 0.141 0.00 0.00 +0.452 C ATOM 17 F LIG 1 -8.748 -1.479 0.779 0.00 0.00 -0.163 F ATOM 18 F LIG 1 -10.095 0.223 0.549 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -9.037 -0.587 -1.180 0.00 0.00 -0.163 F ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 2 20 ATOM 20 C LIG 1 0.476 2.294 -0.462 0.00 0.00 +0.435 C ATOM 21 F LIG 1 -0.319 3.381 -0.251 0.00 0.00 -0.164 F ATOM 22 F LIG 1 1.054 2.492 -1.683 0.00 0.00 -0.164 F ATOM 23 F LIG 1 1.497 2.408 0.442 0.00 0.00 -0.164 F ENDBRANCH 2 20 BRANCH 1 24 ATOM 24 C LIG 1 1.968 -0.302 -0.665 0.00 0.00 +0.139 C BRANCH 24 25 ATOM 25 N LIG 1 2.628 -0.217 0.637 0.00 0.00 -0.339 N ATOM 26 H LIG 1 2.557 0.722 1.026 0.00 0.00 +0.146 HD BRANCH 25 30 ATOM 27 C LIG 1 7.426 0.733 0.045 0.00 0.00 +0.124 A ATOM 28 C LIG 1 6.380 -0.197 0.237 0.00 0.00 +0.023 A ATOM 29 C LIG 1 5.059 0.303 0.356 0.00 0.00 +0.008 A ATOM 30 C LIG 1 3.990 -0.617 0.566 0.00 0.00 +0.035 A ATOM 31 C LIG 1 4.252 -1.996 0.614 0.00 0.00 +0.023 A ATOM 32 C LIG 1 5.546 -2.482 0.488 0.00 0.00 +0.003 A ATOM 33 C LIG 1 4.883 1.695 0.251 0.00 0.00 +0.030 A ATOM 34 C LIG 1 5.981 2.512 0.043 0.00 0.00 +0.113 A ATOM 35 C LIG 1 6.598 -1.591 0.302 0.00 0.00 +0.012 A ATOM 36 N LIG 1 7.242 2.060 -0.061 0.00 0.00 -0.240 NA BRANCH 27 37 ATOM 37 N LIG 1 8.763 0.331 -0.060 0.00 0.00 -0.343 N ATOM 38 H LIG 1 9.042 -0.184 0.767 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 9.303 1.188 -0.159 0.00 0.00 +0.144 HD ENDBRANCH 27 37 ENDBRANCH 25 30 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 7