REMARK Name = BDB035738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.901 -0.813 -0.375 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.180 -1.041 -1.232 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.223 -1.293 -2.423 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.401 -0.910 -0.427 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.717 -1.040 -0.831 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.719 -0.853 0.131 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.358 -0.523 1.460 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.011 -0.399 1.855 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.040 -0.601 0.879 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.449 -0.528 0.983 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.651 -0.586 -0.056 0.00 0.00 -0.007 A ATOM 12 C LIG 1 -3.266 -0.564 0.239 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -2.279 -0.851 -0.720 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.709 -1.171 -2.009 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.069 -1.207 -2.329 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.031 -0.916 -1.363 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.649 -0.210 1.042 0.00 0.00 +0.150 C BRANCH 17 18 ATOM 18 C LIG 1 -5.534 1.250 1.446 0.00 0.00 +0.169 A ATOM 19 N LIG 1 -5.510 2.352 0.627 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -5.572 2.420 -0.808 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -5.404 3.433 1.451 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -5.380 3.036 2.700 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -5.463 1.669 2.701 0.00 0.00 -0.131 NA ENDBRANCH 17 18 BRANCH 17 25 ATOM 24 C LIG 1 -7.463 -2.040 0.759 0.00 0.00 +0.007 C ATOM 25 C LIG 1 -7.141 -0.548 0.788 0.00 0.00 +0.044 C ENDBRANCH 17 25 BRANCH 17 26 ATOM 26 O LIG 1 -5.256 -0.965 2.207 0.00 0.00 -0.376 OA ATOM 27 H LIG 1 -5.439 -0.389 2.976 0.00 0.00 +0.211 HD ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.633 -0.034 3.266 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.721 -0.895 3.795 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.065 1.200 3.339 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.682 -0.020 4.131 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.180 -0.947 -0.255 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.728 0.393 -0.466 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.115 0.889 -1.114 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.140 0.360 -0.883 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.498 1.786 -1.404 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.172 1.102 -2.614 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.255 -0.113 -2.360 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.097 -0.206 0.149 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 9