REMARK Name = BDB032530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.628 -2.064 2.470 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.110 -0.912 1.661 0.00 0.00 -0.026 A ATOM 3 C LIG 1 0.932 0.139 1.243 0.00 0.00 +0.061 A ATOM 4 N LIG 1 0.455 1.179 0.503 0.00 0.00 -0.256 NA ATOM 5 C LIG 1 -0.855 1.159 0.152 0.00 0.00 +0.134 A ATOM 6 C LIG 1 -1.763 0.161 0.498 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -1.238 -0.886 1.266 0.00 0.00 +0.029 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 -3.122 0.131 0.139 0.00 0.00 -0.317 N ATOM 9 C LIG 1 -3.552 0.834 -1.112 0.00 0.00 +0.138 C ATOM 10 C LIG 1 -3.015 0.076 -2.333 0.00 0.00 +0.036 C ATOM 11 C LIG 1 -5.048 0.959 -1.236 0.00 0.00 +0.154 A ATOM 12 N LIG 1 -5.762 1.496 -2.201 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 -7.090 1.384 -1.855 0.00 0.00 -0.125 NA ATOM 14 C LIG 1 -7.166 0.788 -0.677 0.00 0.00 +0.238 A ATOM 15 N LIG 1 -5.893 0.527 -0.253 0.00 0.00 -0.305 N ATOM 16 C LIG 1 -5.438 -0.080 0.977 0.00 0.00 +0.144 C ATOM 17 C LIG 1 -4.008 0.364 1.303 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 -8.374 0.440 0.106 0.00 0.00 +0.452 C ATOM 19 F LIG 1 -9.535 0.617 -0.570 0.00 0.00 -0.163 F ATOM 20 F LIG 1 -8.456 1.183 1.243 0.00 0.00 -0.163 F ATOM 21 F LIG 1 -8.346 -0.860 0.510 0.00 0.00 -0.163 F ENDBRANCH 14 18 ENDBRANCH 6 8 BRANCH 3 22 ATOM 22 C LIG 1 2.407 0.194 1.632 0.00 0.00 +0.157 C BRANCH 22 23 ATOM 23 N LIG 1 3.126 1.253 0.892 0.00 0.00 -0.338 N ATOM 24 H LIG 1 2.398 1.847 0.476 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 3.935 0.717 -0.149 0.00 0.00 +0.035 A ATOM 26 C LIG 1 5.248 0.241 0.115 0.00 0.00 +0.008 A ATOM 27 C LIG 1 5.993 -0.378 -0.916 0.00 0.00 +0.023 A ATOM 28 C LIG 1 7.296 -0.839 -0.603 0.00 0.00 +0.124 A ATOM 29 N LIG 1 7.854 -0.712 0.615 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 7.131 -0.103 1.570 0.00 0.00 +0.113 A ATOM 31 C LIG 1 5.399 -0.503 -2.195 0.00 0.00 +0.012 A ATOM 32 C LIG 1 4.110 -0.036 -2.448 0.00 0.00 +0.003 A ATOM 33 C LIG 1 5.852 0.380 1.375 0.00 0.00 +0.030 A ATOM 34 C LIG 1 3.381 0.563 -1.428 0.00 0.00 +0.023 A BRANCH 28 35 ATOM 35 N LIG 1 8.101 -1.466 -1.570 0.00 0.00 -0.343 N ATOM 36 H LIG 1 7.620 -2.287 -1.922 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 8.253 -0.821 -2.338 0.00 0.00 +0.144 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 6