REMARK Name = BDB028132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.995 1.107 0.420 0.00 0.00 +0.064 C ATOM 2 C LIG 1 2.750 -0.349 0.024 0.00 0.00 -0.039 A ATOM 3 C LIG 1 1.615 -1.052 0.457 0.00 0.00 +0.009 A ATOM 4 C LIG 1 1.397 -2.373 0.057 0.00 0.00 -0.027 A ATOM 5 C LIG 1 2.311 -3.018 -0.794 0.00 0.00 -0.041 A ATOM 6 C LIG 1 3.458 -2.344 -1.206 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.992 -4.438 -1.204 0.00 0.00 +0.054 C ATOM 8 C LIG 1 0.489 -4.629 -1.504 0.00 0.00 +0.113 C ATOM 9 N LIG 1 -0.402 -3.779 -0.709 0.00 0.00 -0.293 N ATOM 10 C LIG 1 -1.700 -3.573 -1.169 0.00 0.00 +0.247 C ATOM 11 O LIG 1 -2.244 -4.293 -2.003 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -2.437 -2.390 -0.672 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -3.685 -2.541 -0.066 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.349 -1.417 0.439 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.769 -0.142 0.339 0.00 0.00 -0.044 A ATOM 16 C LIG 1 -2.532 -0.007 -0.307 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -4.451 1.082 0.905 0.00 0.00 +0.062 C ATOM 18 C LIG 1 -5.096 1.931 -0.157 0.00 0.00 -0.026 C ATOM 19 C LIG 1 -4.650 3.091 -0.672 0.00 0.00 -0.027 C ATOM 20 C LIG 1 -3.369 3.812 -0.342 0.00 0.00 +0.068 C ATOM 21 C LIG 1 -2.397 3.787 -1.526 0.00 0.00 +0.235 C ATOM 22 O LIG 1 -1.196 4.520 -1.253 0.00 0.00 -0.476 OA ATOM 23 C LIG 1 -0.187 3.675 -0.854 0.00 0.00 +0.215 A ATOM 24 N LIG 1 -0.349 3.000 0.298 0.00 0.00 -0.221 NA ATOM 25 C LIG 1 0.680 2.215 0.698 0.00 0.00 +0.119 A ATOM 26 C LIG 1 0.958 3.617 -1.623 0.00 0.00 +0.067 A ATOM 27 C LIG 1 1.985 2.774 -1.206 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -1.879 -1.118 -0.833 0.00 0.00 +0.013 A ATOM 29 C LIG 1 0.174 -3.147 0.475 0.00 0.00 +0.143 C ATOM 30 C LIG 1 3.671 -1.020 -0.804 0.00 0.00 +0.004 A ATOM 31 C LIG 1 1.867 2.044 -0.012 0.00 0.00 -0.021 A ENDROOT BRANCH 1 33 ATOM 32 C LIG 1 5.020 0.981 1.990 0.00 0.00 +0.020 C ATOM 33 C LIG 1 3.527 1.317 1.865 0.00 0.00 +0.106 C BRANCH 33 34 ATOM 34 C LIG 1 2.731 0.632 2.960 0.00 0.00 +0.308 C ATOM 35 O LIG 1 1.880 1.210 3.623 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 2.998 -0.675 3.156 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 3.606 -1.082 2.509 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 3