REMARK Name = BDB035097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.073 0.452 0.441 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -1.976 0.379 1.538 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -3.276 0.022 1.242 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -3.958 -0.051 2.434 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -3.041 0.309 3.394 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -3.715 -0.234 -0.069 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.874 -0.185 -1.066 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -1.817 0.581 2.833 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -1.568 0.158 -0.781 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 0.949 -1.510 1.443 0.00 0.00 +0.044 C ATOM 11 C LIG 1 1.322 -0.118 1.008 0.00 0.00 -0.042 A ATOM 12 C LIG 1 0.358 0.801 0.550 0.00 0.00 -0.010 A ATOM 13 C LIG 1 0.762 2.092 0.175 0.00 0.00 +0.009 A ATOM 14 C LIG 1 2.103 2.472 0.254 0.00 0.00 +0.006 A ATOM 15 C LIG 1 3.077 1.573 0.710 0.00 0.00 -0.027 A ATOM 16 C LIG 1 2.667 0.284 1.089 0.00 0.00 +0.009 A BRANCH 15 17 ATOM 17 C LIG 1 4.521 2.042 0.811 0.00 0.00 +0.109 C ATOM 18 N LIG 1 5.498 0.965 0.734 0.00 0.00 -0.260 N ATOM 19 C LIG 1 5.873 0.405 -0.461 0.00 0.00 +0.404 C ATOM 20 O LIG 1 5.387 0.713 -1.541 0.00 0.00 -0.226 OA ATOM 21 C LIG 1 6.180 0.753 1.998 0.00 0.00 +0.112 C ATOM 22 C LIG 1 5.375 1.555 3.009 0.00 0.00 +0.021 C ATOM 23 C LIG 1 4.814 2.699 2.168 0.00 0.00 +0.029 C BRANCH 19 24 ATOM 24 O LIG 1 6.851 -0.521 -0.286 0.00 0.00 -0.445 OA BRANCH 24 25 ATOM 25 C LIG 1 7.394 -1.254 -1.414 0.00 0.00 +0.107 C ATOM 26 C LIG 1 8.092 -0.317 -2.405 0.00 0.00 +0.055 C ATOM 27 C LIG 1 6.319 -2.110 -2.092 0.00 0.00 +0.055 C ATOM 28 C LIG 1 8.447 -2.188 -0.798 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 -3.256 0.399 4.806 0.00 0.00 +0.121 C ATOM 30 N LIG 1 -3.463 0.465 5.947 0.00 0.00 -0.189 NA ENDBRANCH 5 29 BRANCH 6 31 ATOM 31 N LIG 1 -5.030 -0.564 -0.311 0.00 0.00 -0.310 N ATOM 32 H LIG 1 -5.076 -0.966 -1.246 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -6.045 0.480 -0.215 0.00 0.00 +0.143 C BRANCH 33 34 ATOM 34 C LIG 1 -7.406 -0.129 -0.373 0.00 0.00 +0.012 A ATOM 35 C LIG 1 -7.971 -0.398 -1.616 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -7.425 -0.212 -2.983 0.00 0.00 +0.080 C ATOM 37 C LIG 1 -8.700 -0.439 -3.795 0.00 0.00 +0.234 C ATOM 38 O LIG 1 -9.627 -1.218 -3.007 0.00 0.00 -0.491 OA ATOM 39 C LIG 1 -9.219 -1.004 -1.716 0.00 0.00 +0.124 A ATOM 40 C LIG 1 -9.953 -1.370 -0.607 0.00 0.00 +0.049 A ATOM 41 C LIG 1 -9.409 -1.105 0.649 0.00 0.00 +0.042 A ATOM 42 C LIG 1 -8.152 -0.494 0.755 0.00 0.00 +0.129 A ATOM 43 F LIG 1 -7.656 -0.262 1.980 0.00 0.00 -0.205 F ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 6 31 TORSDOF 8