REMARK Name = BDB011509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.597 0.144 -0.959 0.00 0.00 +0.200 C ATOM 2 C LIG 1 2.000 1.496 -1.538 0.00 0.00 +0.200 C ATOM 3 C LIG 1 3.374 1.508 -2.210 0.00 0.00 +0.054 C ATOM 4 O LIG 1 2.087 2.442 -0.480 0.00 0.00 -0.485 OA ATOM 5 C LIG 1 0.990 2.712 0.286 0.00 0.00 +0.143 A ATOM 6 C LIG 1 -0.287 2.120 0.292 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -1.221 2.671 1.206 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -0.919 3.735 2.064 0.00 0.00 +0.005 A ATOM 9 C LIG 1 0.342 4.310 2.041 0.00 0.00 -0.047 A ATOM 10 C LIG 1 0.703 5.422 2.978 0.00 0.00 +0.044 C ATOM 11 N LIG 1 -0.724 0.999 -0.517 0.00 0.00 -0.262 N ATOM 12 C LIG 1 1.285 3.781 1.162 0.00 0.00 +0.051 A ATOM 13 C LIG 1 0.091 0.066 -1.158 0.00 0.00 +0.244 C ATOM 14 O LIG 1 -0.369 -0.833 -1.878 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 3.280 -1.675 -1.155 0.00 0.00 +0.230 C ATOM 16 N LIG 1 2.166 -1.022 -1.644 0.00 0.00 -0.300 N ATOM 17 H LIG 1 1.519 -1.534 -2.239 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 3.928 -1.234 -0.210 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 3.595 -2.991 -1.905 0.00 0.00 +0.137 C ATOM 20 C LIG 1 2.735 -4.106 -1.312 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 5.883 -2.436 -2.526 0.00 0.00 +0.101 C ATOM 22 N LIG 1 5.019 -3.368 -1.812 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 5.150 -4.303 -2.193 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 11 24 ATOM 24 C LIG 1 -2.160 0.846 -0.783 0.00 0.00 +0.153 C BRANCH 24 25 ATOM 25 C LIG 1 -3.035 -0.083 0.071 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -2.624 -0.884 1.197 0.00 0.00 -0.010 A ATOM 27 C LIG 1 -3.602 -1.705 1.830 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -3.277 -2.522 2.927 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -1.987 -2.552 3.436 0.00 0.00 +0.018 A ATOM 30 C LIG 1 -1.006 -1.766 2.862 0.00 0.00 +0.016 A ATOM 31 BR LIG 1 -1.574 -3.656 4.911 0.00 0.00 -0.050 Br ATOM 32 C LIG 1 -4.923 -1.720 1.378 0.00 0.00 +0.012 A ATOM 33 C LIG 1 -5.323 -0.937 0.304 0.00 0.00 +0.046 A ATOM 34 C LIG 1 -1.325 -0.951 1.769 0.00 0.00 +0.010 A ATOM 35 C LIG 1 -4.399 -0.128 -0.350 0.00 0.00 +0.125 A BRANCH 35 36 ATOM 36 O LIG 1 -4.727 0.679 -1.415 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 -6.030 0.552 -1.972 0.00 0.00 +0.277 C ENDBRANCH 35 36 ENDBRANCH 24 25 ENDBRANCH 11 24 TORSDOF 6