REMARK Name = BDB004932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.764 2.056 -1.014 0.00 0.00 -0.026 A ATOM 2 C LIG 1 1.452 1.586 -0.823 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.461 2.399 -0.252 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.792 3.700 0.127 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.091 4.181 -0.054 0.00 0.00 +0.002 A ATOM 6 C LIG 1 3.071 3.366 -0.617 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.827 1.840 -0.107 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -0.929 0.886 -0.426 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -1.927 2.415 0.503 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -1.964 3.485 1.098 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.169 1.593 0.450 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.502 0.829 -0.669 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -4.681 0.070 -0.673 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -5.563 0.051 0.421 0.00 0.00 +0.030 A ATOM 15 C LIG 1 -5.207 0.845 1.524 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -4.034 1.612 1.542 0.00 0.00 +0.015 A BRANCH 14 17 ATOM 17 N LIG 1 -6.721 -0.706 0.410 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -7.423 -1.069 1.654 0.00 0.00 +0.120 C ATOM 19 C LIG 1 -8.251 -2.364 1.471 0.00 0.00 +0.103 C ATOM 20 N LIG 1 -9.232 -2.351 0.366 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 -10.589 -2.102 0.845 0.00 0.00 +0.105 C ATOM 22 C LIG 1 -8.859 -1.366 -0.672 0.00 0.00 +0.103 C ATOM 23 C LIG 1 -7.334 -1.175 -0.845 0.00 0.00 +0.120 C ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 4.339 1.720 -2.944 0.00 0.00 +0.033 C ATOM 25 C LIG 1 3.823 1.141 -1.623 0.00 0.00 +0.099 C BRANCH 25 26 ATOM 26 N LIG 1 4.915 1.001 -0.653 0.00 0.00 -0.322 N ATOM 27 H LIG 1 4.551 1.016 0.297 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 5.750 -0.129 -0.779 0.00 0.00 +0.130 A ATOM 29 C LIG 1 6.833 -0.288 0.113 0.00 0.00 +0.041 A ATOM 30 C LIG 1 7.621 -1.444 -0.048 0.00 0.00 +0.088 A ATOM 31 C LIG 1 8.699 -1.627 0.844 0.00 0.00 +0.063 A ATOM 32 C LIG 1 8.987 -0.684 1.850 0.00 0.00 +0.015 A ATOM 33 C LIG 1 8.215 0.458 1.988 0.00 0.00 +0.002 A ATOM 34 N LIG 1 7.337 -2.331 -1.028 0.00 0.00 -0.235 NA ATOM 35 C LIG 1 6.302 -2.067 -1.833 0.00 0.00 +0.223 A ATOM 36 C LIG 1 7.148 0.655 1.124 0.00 0.00 +0.013 A ATOM 37 N LIG 1 5.495 -1.012 -1.756 0.00 0.00 -0.220 NA BRANCH 31 38 ATOM 38 C LIG 1 9.612 -2.813 0.795 0.00 0.00 +0.244 C ATOM 39 O LIG 1 10.543 -2.940 1.584 0.00 0.00 -0.270 OA ATOM 40 N LIG 1 9.391 -3.767 -0.152 0.00 0.00 -0.325 N ATOM 41 H LIG 1 8.637 -3.668 -0.825 0.00 0.00 +0.145 HD ATOM 42 H LIG 1 10.012 -4.561 -0.203 0.00 0.00 +0.145 HD ENDBRANCH 31 38 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 7