REMARK Name = BDB034486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.583 0.694 -0.939 0.00 0.00 -0.282 N ATOM 2 C LIG 1 0.578 1.357 -0.553 0.00 0.00 +0.250 C ATOM 3 O LIG 1 0.755 2.567 -0.675 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 1.694 0.596 0.021 0.00 0.00 +0.074 A ATOM 5 C LIG 1 1.622 0.141 1.337 0.00 0.00 +0.138 A ATOM 6 F LIG 1 0.523 0.359 2.073 0.00 0.00 -0.205 F ATOM 7 C LIG 1 2.686 -0.554 1.905 0.00 0.00 +0.069 A ATOM 8 C LIG 1 3.846 -0.783 1.163 0.00 0.00 +0.093 A ATOM 9 N LIG 1 4.901 -1.498 1.772 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 6.009 -1.714 1.113 0.00 0.00 +0.142 A ATOM 11 C LIG 1 6.137 -1.228 -0.229 0.00 0.00 +0.106 A ATOM 12 N LIG 1 5.115 -0.539 -0.830 0.00 0.00 -0.294 N ATOM 13 C LIG 1 5.529 -0.213 -2.092 0.00 0.00 +0.204 A ATOM 14 N LIG 1 6.749 -0.651 -2.329 0.00 0.00 -0.243 NA ATOM 15 C LIG 1 7.140 -1.273 -1.169 0.00 0.00 +0.142 A ATOM 16 C LIG 1 3.913 -0.288 -0.156 0.00 0.00 +0.074 A ATOM 17 C LIG 1 2.852 0.407 -0.739 0.00 0.00 +0.044 A BRANCH 10 18 ATOM 18 N LIG 1 6.990 -2.415 1.751 0.00 0.00 -0.341 N ATOM 19 H LIG 1 7.566 -3.007 1.167 0.00 0.00 +0.144 HD ATOM 20 H LIG 1 6.641 -2.885 2.579 0.00 0.00 +0.144 HD ENDBRANCH 10 18 ENDBRANCH 2 4 BRANCH 1 22 ATOM 21 C LIG 1 -0.303 -1.316 -2.368 0.00 0.00 +0.036 C ATOM 22 C LIG 1 -0.723 -0.789 -0.989 0.00 0.00 +0.141 C BRANCH 22 23 ATOM 23 C LIG 1 -2.090 -1.314 -0.556 0.00 0.00 +0.149 A ATOM 24 N LIG 1 -2.306 -1.441 0.771 0.00 0.00 -0.238 NA ATOM 25 C LIG 1 -3.541 -1.825 1.144 0.00 0.00 +0.114 A ATOM 26 C LIG 1 -4.554 -2.093 0.256 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -4.230 -1.952 -1.072 0.00 0.00 +0.114 A ATOM 28 N LIG 1 -3.013 -1.575 -1.505 0.00 0.00 -0.238 NA ENDBRANCH 22 23 ENDBRANCH 1 22 BRANCH 1 29 ATOM 29 C LIG 1 -1.677 1.515 -1.488 0.00 0.00 +0.164 C BRANCH 29 30 ATOM 30 C LIG 1 -2.769 1.860 -0.492 0.00 0.00 +0.059 A ATOM 31 N LIG 1 -4.053 1.729 -0.916 0.00 0.00 -0.258 NA ATOM 32 C LIG 1 -5.040 2.030 -0.043 0.00 0.00 +0.123 A ATOM 33 C LIG 1 -4.824 2.472 1.252 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -3.500 2.631 1.664 0.00 0.00 +0.016 A ATOM 35 C LIG 1 -2.463 2.328 0.784 0.00 0.00 +0.025 A BRANCH 33 36 ATOM 36 C LIG 1 -5.991 2.769 2.138 0.00 0.00 +0.419 C ATOM 37 F LIG 1 -6.711 3.844 1.714 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -5.645 3.036 3.428 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -6.874 1.732 2.200 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 7