REMARK Name = BDB055672 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.177 -1.954 0.977 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -1.101 -0.962 0.322 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -1.633 -0.089 1.278 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -2.546 0.893 0.924 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -2.940 1.009 -0.421 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.387 0.125 -1.377 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -1.114 -0.401 2.650 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.479 -0.872 -1.010 0.00 0.00 +0.006 A ATOM 9 C LIG 1 0.087 -1.317 2.356 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 1.367 -3.562 -0.220 0.00 0.00 +0.111 A ATOM 11 N LIG 1 1.007 -2.280 0.199 0.00 0.00 -0.316 N ATOM 12 C LIG 1 1.944 -1.414 -0.325 0.00 0.00 +0.135 A ATOM 13 C LIG 1 2.769 -2.224 -1.060 0.00 0.00 +0.096 A ATOM 14 C LIG 1 3.832 -1.679 -1.810 0.00 0.00 +0.048 A ATOM 15 C LIG 1 4.020 -0.348 -1.790 0.00 0.00 +0.092 A ATOM 16 N LIG 1 3.206 0.500 -1.026 0.00 0.00 -0.305 N ATOM 17 C LIG 1 2.128 0.018 -0.245 0.00 0.00 +0.278 A ATOM 18 O LIG 1 1.437 0.758 0.451 0.00 0.00 -0.265 OA ATOM 19 N LIG 1 2.437 -3.530 -0.996 0.00 0.00 -0.232 NA BRANCH 10 21 ATOM 20 C LIG 1 0.957 -5.291 1.537 0.00 0.00 +0.012 C ATOM 21 C LIG 1 0.635 -4.820 0.130 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 3.461 1.942 -1.062 0.00 0.00 +0.220 C BRANCH 22 23 ATOM 23 C LIG 1 4.864 2.315 -0.568 0.00 0.00 +0.235 C ATOM 24 N LIG 1 5.105 2.385 0.801 0.00 0.00 -0.306 N ATOM 25 C LIG 1 4.142 1.981 1.812 0.00 0.00 +0.131 C ATOM 26 C LIG 1 6.476 2.553 1.254 0.00 0.00 +0.131 C ATOM 27 O LIG 1 5.757 2.511 -1.397 0.00 0.00 -0.274 OA ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 28 ATOM 28 C LIG 1 -3.930 2.021 -0.828 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -5.221 1.694 -1.319 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -6.071 2.730 -1.753 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -5.675 4.066 -1.689 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -4.420 4.391 -1.190 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.555 3.380 -0.765 0.00 0.00 +0.009 A BRANCH 29 34 ATOM 34 C LIG 1 -5.738 0.326 -1.400 0.00 0.00 +0.180 A ATOM 35 N LIG 1 -5.450 -0.690 -0.528 0.00 0.00 -0.239 N ATOM 36 H LIG 1 -4.842 -0.695 0.280 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -6.104 -1.807 -0.874 0.00 0.00 -0.046 NA ATOM 38 N LIG 1 -6.795 -1.479 -1.952 0.00 0.00 -0.023 NA ATOM 39 N LIG 1 -6.588 -0.163 -2.287 0.00 0.00 -0.108 NA ENDBRANCH 29 34 ENDBRANCH 5 28 TORSDOF 6