REMARK Name = BDB039682 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.053 -0.014 0.309 0.00 0.00 -0.323 N ATOM 2 C LIG 1 -0.907 -0.177 -0.582 0.00 0.00 +0.091 C ATOM 3 C LIG 1 0.498 0.205 -0.014 0.00 0.00 +0.077 C ATOM 4 C LIG 1 0.210 1.662 -0.437 0.00 0.00 +0.022 C ATOM 5 N LIG 1 0.661 -0.009 1.438 0.00 0.00 -0.292 NA ATOM 6 C LIG 1 -0.545 0.302 2.218 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -0.740 1.068 -1.507 0.00 0.00 +0.025 C ATOM 8 C LIG 1 -1.783 -0.441 1.694 0.00 0.00 +0.121 C ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 -6.040 -0.385 -0.935 0.00 0.00 +0.125 A ATOM 10 N LIG 1 -5.798 0.134 0.298 0.00 0.00 -0.249 NA ATOM 11 C LIG 1 -4.492 0.236 0.654 0.00 0.00 +0.134 A ATOM 12 C LIG 1 -3.395 -0.167 -0.120 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -3.713 -0.672 -1.388 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -5.041 -0.792 -1.804 0.00 0.00 +0.035 A BRANCH 9 18 ATOM 15 C LIG 1 -9.793 -0.163 -0.549 0.00 0.00 +0.128 C ATOM 16 N LIG 1 -8.371 -0.023 -0.403 0.00 0.00 -0.313 N ATOM 17 H LIG 1 -7.968 0.270 0.484 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 -7.479 -0.504 -1.339 0.00 0.00 +0.262 C ATOM 19 O LIG 1 -7.806 -1.001 -2.410 0.00 0.00 -0.269 OA ENDBRANCH 9 18 ENDBRANCH 1 12 BRANCH 5 20 ATOM 20 C LIG 1 1.832 0.703 1.966 0.00 0.00 +0.121 C BRANCH 20 21 ATOM 21 C LIG 1 3.141 0.186 1.422 0.00 0.00 -0.013 A ATOM 22 C LIG 1 3.998 1.002 0.675 0.00 0.00 +0.034 A ATOM 23 C LIG 1 5.191 0.470 0.205 0.00 0.00 +0.068 A ATOM 24 C LIG 1 5.497 -0.858 0.496 0.00 0.00 +0.088 A ATOM 25 C LIG 1 6.750 -1.415 0.004 0.00 0.00 +0.047 A ATOM 26 C LIG 1 7.600 -0.663 -0.721 0.00 0.00 +0.121 A ATOM 27 C LIG 1 7.275 0.751 -1.033 0.00 0.00 +0.261 A ATOM 28 O LIG 1 8.021 1.467 -1.689 0.00 0.00 -0.267 OA ATOM 29 N LIG 1 4.699 -1.672 1.214 0.00 0.00 -0.253 NA ATOM 30 N LIG 1 6.085 1.239 -0.550 0.00 0.00 -0.320 N ATOM 31 H LIG 1 5.877 2.204 -0.771 0.00 0.00 +0.169 HD ATOM 32 C LIG 1 3.538 -1.132 1.656 0.00 0.00 +0.116 A BRANCH 26 33 ATOM 33 C LIG 1 8.895 -1.133 -1.268 0.00 0.00 +0.422 C ATOM 34 F LIG 1 9.954 -0.436 -0.782 0.00 0.00 -0.166 F ATOM 35 F LIG 1 9.132 -2.437 -0.946 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.947 -1.073 -2.623 0.00 0.00 -0.166 F ENDBRANCH 26 33 ENDBRANCH 20 21 ENDBRANCH 5 20 TORSDOF 5