REMARK Name = BDB010457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.595 -1.760 -0.640 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -0.688 -0.711 -0.685 0.00 0.00 -0.315 N ATOM 3 C LIG 1 0.368 -1.031 0.142 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.016 -2.225 0.728 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.693 -2.872 1.663 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 1.818 -2.231 2.007 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.269 -1.069 1.478 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.574 -0.445 0.509 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.206 -2.669 0.232 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -6.582 -1.677 -0.694 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.277 -1.760 -1.429 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -4.066 -1.728 -0.724 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -2.842 -1.828 -1.397 0.00 0.00 +0.018 A ATOM 14 C LIG 1 -2.835 -2.010 -2.785 0.00 0.00 +0.011 A ATOM 15 C LIG 1 -4.036 -2.061 -3.492 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -5.251 -1.935 -2.817 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 C LIG 1 2.666 -2.852 3.051 0.00 0.00 +0.218 A ATOM 18 N LIG 1 2.370 -3.994 3.710 0.00 0.00 -0.149 NA ATOM 19 N LIG 1 3.417 -4.136 4.530 0.00 0.00 -0.265 N ATOM 20 H LIG 1 3.450 -4.932 5.157 0.00 0.00 +0.190 HD ATOM 21 C LIG 1 4.312 -3.130 4.375 0.00 0.00 +0.216 A ATOM 22 N LIG 1 3.880 -2.303 3.455 0.00 0.00 -0.212 NA ENDBRANCH 6 17 BRANCH 8 23 ATOM 23 N LIG 1 2.063 0.724 -0.071 0.00 0.00 -0.324 N ATOM 24 H LIG 1 2.006 0.675 -1.082 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 3.376 1.207 0.385 0.00 0.00 +0.072 C ATOM 26 C LIG 1 3.418 2.711 0.106 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 4.515 0.442 -0.302 0.00 0.00 +0.009 C ATOM 28 C LIG 1 5.989 0.914 -0.139 0.00 0.00 +0.005 C ATOM 29 C LIG 1 6.246 0.346 -1.552 0.00 0.00 +0.001 C ATOM 30 C LIG 1 4.745 0.565 -1.837 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 -0.887 0.535 -1.412 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 C LIG 1 -1.766 1.503 -0.657 0.00 0.00 -0.028 A ATOM 33 C LIG 1 -3.083 1.742 -1.075 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -3.903 2.628 -0.372 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -3.425 3.294 0.765 0.00 0.00 +0.055 A ATOM 36 C LIG 1 -2.104 3.068 1.173 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -1.284 2.181 0.471 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 -4.307 4.266 1.510 0.00 0.00 +0.417 C ATOM 39 F LIG 1 -5.624 3.918 1.486 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -3.980 4.391 2.826 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -4.245 5.523 0.989 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 8