REMARK Name = BDB023108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.961 0.879 0.672 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -1.120 1.860 -0.343 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -2.390 2.380 -0.508 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -2.314 3.311 -1.520 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.997 3.300 -1.920 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -3.496 1.973 0.272 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -3.323 1.071 1.201 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.264 2.399 -1.191 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -2.061 0.545 1.376 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 0.806 1.825 2.891 0.00 0.00 +0.044 C ATOM 11 C LIG 1 1.148 0.630 2.042 0.00 0.00 -0.042 A ATOM 12 C LIG 1 0.311 0.203 0.993 0.00 0.00 -0.010 A ATOM 13 C LIG 1 0.686 -0.907 0.221 0.00 0.00 +0.009 A ATOM 14 C LIG 1 1.871 -1.595 0.486 0.00 0.00 +0.006 A ATOM 15 C LIG 1 2.716 -1.188 1.527 0.00 0.00 -0.027 A ATOM 16 C LIG 1 2.335 -0.077 2.301 0.00 0.00 +0.009 A BRANCH 15 17 ATOM 17 C LIG 1 4.018 -1.902 1.854 0.00 0.00 +0.109 C ATOM 18 N LIG 1 4.642 -2.551 0.706 0.00 0.00 -0.260 N ATOM 19 C LIG 1 5.315 -1.907 -0.302 0.00 0.00 +0.404 C ATOM 20 O LIG 1 5.901 -2.497 -1.201 0.00 0.00 -0.226 OA ATOM 21 C LIG 1 4.664 -3.992 0.836 0.00 0.00 +0.112 C ATOM 22 C LIG 1 3.690 -4.287 1.966 0.00 0.00 +0.021 C ATOM 23 C LIG 1 3.811 -3.051 2.853 0.00 0.00 +0.029 C BRANCH 19 24 ATOM 24 O LIG 1 5.243 -0.560 -0.172 0.00 0.00 -0.445 OA BRANCH 24 25 ATOM 25 C LIG 1 5.817 0.326 -1.164 0.00 0.00 +0.107 C ATOM 26 C LIG 1 5.476 1.738 -0.662 0.00 0.00 +0.055 C ATOM 27 C LIG 1 7.341 0.180 -1.223 0.00 0.00 +0.055 C ATOM 28 C LIG 1 5.166 0.125 -2.537 0.00 0.00 +0.055 C ENDBRANCH 24 25 ENDBRANCH 19 24 ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 5 29 ATOM 29 C LIG 1 -0.400 4.099 -2.946 0.00 0.00 +0.121 C ATOM 30 N LIG 1 0.047 4.769 -3.784 0.00 0.00 -0.189 NA ENDBRANCH 5 29 BRANCH 6 31 ATOM 31 N LIG 1 -4.723 2.549 0.028 0.00 0.00 -0.310 N ATOM 32 H LIG 1 -4.854 3.084 -0.821 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -5.962 2.044 0.583 0.00 0.00 +0.143 C BRANCH 33 34 ATOM 34 C LIG 1 -6.684 1.212 -0.437 0.00 0.00 +0.012 A ATOM 35 C LIG 1 -6.552 -0.170 -0.520 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.703 -1.105 0.258 0.00 0.00 +0.080 C ATOM 37 C LIG 1 -6.335 -2.429 -0.171 0.00 0.00 +0.234 C ATOM 38 O LIG 1 -6.986 -2.245 -1.449 0.00 0.00 -0.491 OA ATOM 39 C LIG 1 -7.225 -0.895 -1.498 0.00 0.00 +0.124 A ATOM 40 C LIG 1 -8.038 -0.293 -2.436 0.00 0.00 +0.049 A ATOM 41 C LIG 1 -8.183 1.091 -2.376 0.00 0.00 +0.042 A ATOM 42 C LIG 1 -7.510 1.825 -1.390 0.00 0.00 +0.129 A ATOM 43 F LIG 1 -7.650 3.160 -1.380 0.00 0.00 -0.205 F ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 6 31 TORSDOF 8