REMARK Name = BDB034519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.508 0.325 0.141 0.00 0.00 -0.279 N ATOM 2 C LIG 1 4.739 1.354 -0.394 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.074 2.501 -0.618 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.402 0.805 -0.638 0.00 0.00 +0.042 A ATOM 5 C LIG 1 3.382 -0.504 -0.171 0.00 0.00 -0.015 A ATOM 6 C LIG 1 2.227 -1.259 -0.272 0.00 0.00 +0.051 A ATOM 7 C LIG 1 1.086 -0.679 -0.849 0.00 0.00 +0.121 A ATOM 8 C LIG 1 1.130 0.646 -1.321 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.301 1.406 -1.213 0.00 0.00 +0.017 A ATOM 10 C LIG 1 4.709 -0.860 0.407 0.00 0.00 +0.145 C ENDROOT BRANCH 1 15 ATOM 11 O LIG 1 10.251 1.134 2.712 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 9.165 1.054 2.142 0.00 0.00 +0.223 C ATOM 13 C LIG 1 8.908 0.530 0.673 0.00 0.00 +0.080 C ATOM 14 C LIG 1 7.840 1.362 -0.109 0.00 0.00 +0.048 C ATOM 15 C LIG 1 6.817 0.552 0.776 0.00 0.00 +0.116 C ATOM 16 C LIG 1 6.748 1.065 2.304 0.00 0.00 +0.243 C ATOM 17 O LIG 1 5.762 1.107 3.037 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 7.849 -0.622 0.591 0.00 0.00 +0.048 C ATOM 19 N LIG 1 7.997 1.396 2.796 0.00 0.00 -0.254 N ATOM 20 H LIG 1 8.063 1.662 3.768 0.00 0.00 +0.158 HD ENDBRANCH 1 15 BRANCH 7 21 ATOM 21 O LIG 1 0.008 -1.518 -0.899 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.277 -1.006 -1.302 0.00 0.00 +0.190 C ATOM 23 C LIG 1 -2.365 -1.855 -0.558 0.00 0.00 +0.097 C ATOM 24 C LIG 1 -2.882 -3.017 -1.445 0.00 0.00 +0.022 C ATOM 25 C LIG 1 -1.789 -3.595 -2.334 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -1.263 -2.553 -3.320 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -1.426 -1.114 -2.823 0.00 0.00 +0.046 C BRANCH 23 28 ATOM 28 N LIG 1 -3.525 -1.024 -0.158 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -4.423 -1.754 0.774 0.00 0.00 +0.090 C ATOM 30 C LIG 1 -4.515 -0.464 1.626 0.00 0.00 +0.020 C ATOM 31 C LIG 1 -3.169 -0.100 0.951 0.00 0.00 +0.090 C BRANCH 30 32 ATOM 32 C LIG 1 -5.758 0.437 1.481 0.00 0.00 -0.005 C ATOM 33 C LIG 1 -6.104 0.782 0.020 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -7.086 1.948 -0.041 0.00 0.00 +0.076 C ATOM 35 C LIG 1 -6.473 3.212 0.549 0.00 0.00 +0.249 C ATOM 36 F LIG 1 -5.984 3.991 -0.452 0.00 0.00 -0.206 F ATOM 37 F LIG 1 -7.461 3.935 1.140 0.00 0.00 -0.206 F ATOM 38 C LIG 1 -5.357 2.961 1.554 0.00 0.00 +0.076 C ATOM 39 C LIG 1 -5.610 1.696 2.367 0.00 0.00 +0.009 C ENDBRANCH 30 32 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 5