REMARK Name = BDB037898 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.413 -0.733 0.300 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.647 -1.181 1.317 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.344 -0.802 1.343 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.293 0.027 0.413 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.534 0.521 -0.614 0.00 0.00 -0.006 A ATOM 6 C LIG 1 1.888 0.121 -0.665 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.529 -2.064 0.403 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.789 -1.885 1.575 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.353 -2.123 2.769 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.461 -1.458 1.540 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.818 -1.184 0.320 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.576 -1.377 -0.846 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.031 -1.164 -2.054 0.00 0.00 -0.205 F ATOM 14 C LIG 1 5.908 -1.806 -0.816 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.588 -2.707 -0.606 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.820 -2.483 0.569 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.647 0.346 0.500 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.516 -0.156 -0.589 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.771 -0.957 -0.083 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -3.442 -1.619 1.268 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -2.988 -0.630 2.344 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.253 0.592 1.803 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -4.934 -0.031 0.058 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -5.703 -0.526 0.522 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -4.694 0.752 0.664 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.154 -2.005 -1.181 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.181 -3.063 -0.757 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -4.602 -3.977 0.062 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.200 -2.502 -0.053 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -4.639 -1.292 -2.340 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -5.132 -0.527 -1.966 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 0.058 1.514 -1.656 0.00 0.00 +0.146 C BRANCH 32 33 ATOM 33 N LIG 1 -0.434 2.773 -1.103 0.00 0.00 -0.280 N ATOM 34 C LIG 1 -1.496 3.400 -1.725 0.00 0.00 +0.309 C ATOM 35 O LIG 1 -2.128 2.931 -2.665 0.00 0.00 -0.252 OA ATOM 36 N LIG 1 -1.836 4.623 -1.208 0.00 0.00 -0.240 N ATOM 37 H LIG 1 -2.624 5.075 -1.649 0.00 0.00 +0.159 HD ATOM 38 C LIG 1 -1.474 5.108 0.019 0.00 0.00 +0.222 C ATOM 39 O LIG 1 -2.036 6.082 0.513 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 -0.420 4.331 0.758 0.00 0.00 +0.115 C ATOM 41 C LIG 1 0.423 3.562 -0.234 0.00 0.00 +0.119 C ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9