REMARK Name = BDB051526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.250 -0.191 -0.848 0.00 0.00 +0.162 A ATOM 2 C LIG 1 1.998 -1.230 -0.274 0.00 0.00 +0.164 A ATOM 3 C LIG 1 1.351 -2.187 0.515 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -0.014 -2.136 0.764 0.00 0.00 +0.080 A ATOM 5 C LIG 1 -0.765 -1.089 0.218 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -2.141 -1.100 0.531 0.00 0.00 +0.134 A ATOM 7 N LIG 1 -2.692 -2.072 1.280 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 -1.872 -3.020 1.736 0.00 0.00 +0.223 A ATOM 9 N LIG 1 -0.554 -3.094 1.521 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -0.121 -0.123 -0.598 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 1.196 1.613 -2.413 0.00 0.00 +0.277 C ATOM 12 O LIG 1 1.946 0.709 -1.613 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 6 13 ATOM 13 N LIG 1 -2.959 -0.037 0.058 0.00 0.00 -0.299 N ATOM 14 H LIG 1 -2.558 0.842 0.371 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 -4.368 0.032 0.012 0.00 0.00 +0.032 A ATOM 16 C LIG 1 -4.990 1.286 -0.014 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -6.382 1.401 -0.127 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -7.202 0.269 -0.243 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -6.573 -0.983 -0.258 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -5.178 -1.095 -0.145 0.00 0.00 +0.024 A BRANCH 18 21 ATOM 21 C LIG 1 -8.665 0.456 -0.359 0.00 0.00 +0.109 A ATOM 22 S LIG 1 -9.761 -0.874 -0.378 0.00 0.00 -0.067 S ATOM 23 C LIG 1 -11.094 0.201 -0.517 0.00 0.00 +0.040 A ATOM 24 C LIG 1 -10.617 1.510 -0.537 0.00 0.00 +0.079 A ATOM 25 C LIG 1 -11.543 2.568 -0.645 0.00 0.00 +0.029 A ATOM 26 C LIG 1 -12.911 2.289 -0.730 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -13.364 0.974 -0.709 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -12.466 -0.092 -0.602 0.00 0.00 +0.017 A ATOM 29 N LIG 1 -9.243 1.640 -0.445 0.00 0.00 -0.239 NA ENDBRANCH 18 21 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 2 30 ATOM 30 O LIG 1 3.340 -1.233 -0.556 0.00 0.00 -0.488 OA BRANCH 30 31 ATOM 31 C LIG 1 4.161 -2.193 0.103 0.00 0.00 +0.230 C BRANCH 31 32 ATOM 32 C LIG 1 5.621 -1.962 -0.289 0.00 0.00 +0.056 C BRANCH 32 33 ATOM 33 C LIG 1 6.103 -0.561 0.112 0.00 0.00 +0.088 C BRANCH 33 34 ATOM 34 N LIG 1 7.527 -0.369 -0.198 0.00 0.00 -0.300 NA ATOM 35 C LIG 1 8.433 -1.054 0.750 0.00 0.00 +0.100 C ATOM 36 C LIG 1 9.151 -0.112 1.745 0.00 0.00 +0.099 C ATOM 37 N LIG 1 9.973 0.917 1.080 0.00 0.00 -0.303 NA ATOM 38 C LIG 1 10.227 2.037 1.980 0.00 0.00 +0.105 C ATOM 39 C LIG 1 9.363 1.355 -0.192 0.00 0.00 +0.099 C ATOM 40 C LIG 1 7.849 1.070 -0.298 0.00 0.00 +0.100 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 9