REMARK Name = BDB022980 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.412 -3.792 1.498 0.00 0.00 +0.028 C ATOM 2 C LIG 1 0.320 -3.286 0.053 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -0.240 -1.922 -0.002 0.00 0.00 -0.291 N ATOM 4 C LIG 1 -1.639 -1.803 -0.097 0.00 0.00 +0.237 C ATOM 5 O LIG 1 -2.322 -2.825 -0.195 0.00 0.00 -0.274 OA ATOM 6 C LIG 1 0.643 -0.836 0.443 0.00 0.00 +0.163 C ATOM 7 C LIG 1 2.118 -1.050 0.192 0.00 0.00 +0.067 A ATOM 8 C LIG 1 2.590 -2.248 -0.305 0.00 0.00 -0.005 A ATOM 9 C LIG 1 3.951 -2.316 -0.487 0.00 0.00 +0.120 A ATOM 10 N LIG 1 4.794 -1.313 -0.181 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 4.255 -0.197 0.321 0.00 0.00 +0.216 A ATOM 12 N LIG 1 2.940 -0.024 0.509 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 1.669 -3.362 -0.682 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -2.265 -0.370 -0.064 0.00 0.00 +0.160 C ATOM 15 N LIG 1 -3.541 -0.186 -0.810 0.00 0.00 -0.317 N ATOM 16 C LIG 1 -3.915 1.237 -1.029 0.00 0.00 +0.124 C ATOM 17 C LIG 1 -3.410 2.174 0.116 0.00 0.00 +0.073 C ATOM 18 C LIG 1 -3.339 1.398 1.447 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -2.363 0.217 1.351 0.00 0.00 +0.033 C BRANCH 15 20 ATOM 20 C LIG 1 -4.650 -1.028 -0.695 0.00 0.00 +0.030 A ATOM 21 C LIG 1 -4.960 -1.774 0.447 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -6.106 -2.579 0.509 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -6.970 -2.657 -0.578 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -6.684 -1.936 -1.730 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -5.538 -1.136 -1.783 0.00 0.00 +0.023 A ENDBRANCH 15 20 BRANCH 17 26 ATOM 26 N LIG 1 -4.102 3.477 0.266 0.00 0.00 -0.304 NA ATOM 27 C LIG 1 -5.495 3.375 0.702 0.00 0.00 +0.104 C ATOM 28 C LIG 1 -4.011 4.286 -0.950 0.00 0.00 +0.104 C ENDBRANCH 17 26 ENDBRANCH 4 14 BRANCH 11 29 ATOM 29 N LIG 1 5.048 0.884 0.679 0.00 0.00 -0.310 N ATOM 30 H LIG 1 4.408 1.670 0.716 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 6.272 1.080 -0.098 0.00 0.00 +0.077 C ATOM 32 C LIG 1 6.654 2.571 -0.084 0.00 0.00 +0.050 C ATOM 33 C LIG 1 7.681 2.853 1.000 0.00 0.00 +0.161 C ATOM 34 O LIG 1 8.903 2.151 0.778 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 8.758 0.854 0.198 0.00 0.00 +0.161 C ATOM 36 C LIG 1 7.407 0.218 0.479 0.00 0.00 +0.050 C ENDBRANCH 29 31 ENDBRANCH 11 29 TORSDOF 5