REMARK Name = BDB034588 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.426 -1.273 0.367 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.432 -1.736 0.654 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.272 0.034 -0.054 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -1.119 0.740 -0.581 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -4.029 -2.272 0.262 0.00 0.00 -0.006 A ATOM 6 C LIG 1 -2.876 -1.462 0.267 0.00 0.00 +0.030 A ATOM 7 C LIG 1 -1.600 -2.033 0.331 0.00 0.00 +0.034 A ATOM 8 C LIG 1 -1.469 -3.424 0.387 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -2.600 -4.236 0.355 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -3.873 -3.665 0.303 0.00 0.00 +0.007 A BRANCH 5 11 ATOM 11 C LIG 1 -5.433 -1.665 0.229 0.00 0.00 +0.172 C ATOM 12 F LIG 1 -6.386 -2.653 0.071 0.00 0.00 -0.234 F ATOM 13 C LIG 1 -5.582 -0.756 -1.003 0.00 0.00 +0.056 C BRANCH 11 14 ATOM 14 C LIG 1 -5.730 -0.940 1.571 0.00 0.00 +0.274 C ATOM 15 F LIG 1 -5.642 -1.847 2.595 0.00 0.00 -0.233 F BRANCH 14 18 ATOM 16 C LIG 1 -8.455 -2.226 2.424 0.00 0.00 +0.151 C ATOM 17 N LIG 1 -8.240 -0.867 1.981 0.00 0.00 -0.318 N ATOM 18 C LIG 1 -7.063 -0.277 1.604 0.00 0.00 +0.171 A ATOM 19 N LIG 1 -7.310 0.974 1.270 0.00 0.00 -0.132 NA ATOM 20 N LIG 1 -8.649 1.206 1.432 0.00 0.00 -0.138 NA ATOM 21 C LIG 1 -9.195 0.091 1.860 0.00 0.00 +0.224 A ENDBRANCH 14 18 ENDBRANCH 11 14 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 1.114 0.556 0.168 0.00 0.00 +0.129 A ATOM 23 N LIG 1 1.837 -0.084 1.117 0.00 0.00 -0.227 NA ATOM 24 C LIG 1 3.060 0.403 1.371 0.00 0.00 +0.133 A ATOM 25 N LIG 1 3.589 1.432 0.697 0.00 0.00 -0.235 NA ATOM 26 C LIG 1 2.850 2.021 -0.276 0.00 0.00 +0.059 A ATOM 27 C LIG 1 1.570 1.618 -0.569 0.00 0.00 +0.057 A BRANCH 24 28 ATOM 28 C LIG 1 3.868 -0.202 2.487 0.00 0.00 +0.057 C ATOM 29 C LIG 1 5.264 -0.708 2.227 0.00 0.00 +0.012 C ATOM 30 C LIG 1 4.165 -1.681 2.520 0.00 0.00 +0.012 C ENDBRANCH 24 28 BRANCH 26 31 ATOM 31 C LIG 1 3.511 3.129 -1.082 0.00 0.00 +0.140 C BRANCH 31 32 ATOM 32 N LIG 1 3.867 2.709 -2.453 0.00 0.00 -0.296 NA ATOM 33 C LIG 1 4.977 1.723 -2.457 0.00 0.00 +0.091 C ATOM 34 C LIG 1 6.230 2.566 -2.436 0.00 0.00 -0.015 C ATOM 35 C LIG 1 7.581 1.966 -2.775 0.00 0.00 +0.009 C ATOM 36 C LIG 1 7.268 2.346 -1.361 0.00 0.00 +0.009 C ATOM 37 C LIG 1 5.880 3.966 -2.847 0.00 0.00 +0.023 C ATOM 38 C LIG 1 4.403 3.849 -3.229 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 3 22 TORSDOF 8