REMARK Name = BDB005659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.528 -0.471 -0.070 0.00 0.00 -0.315 N ATOM 2 C LIG 1 -0.377 -1.081 -0.929 0.00 0.00 +0.110 A ATOM 3 C LIG 1 0.391 -2.013 -1.614 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -0.196 -2.875 -2.534 0.00 0.00 +0.065 A ATOM 5 CA LIG 1 -1.561 -2.729 -2.688 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -2.316 -1.813 -2.030 0.00 0.00 -0.223 NA ATOM 7 N LIG 1 1.705 -1.939 -1.247 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 -1.756 -0.952 -1.149 0.00 0.00 +0.146 A ATOM 9 C LIG 1 1.793 -0.985 -0.332 0.00 0.00 +0.161 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 3.061 -0.579 0.296 0.00 0.00 +0.106 A ATOM 11 N LIG 1 3.088 0.631 0.898 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 4.258 1.022 1.446 0.00 0.00 +0.112 A ATOM 13 C LIG 1 5.416 0.262 1.425 0.00 0.00 +0.023 A ATOM 14 C LIG 1 5.390 -0.986 0.797 0.00 0.00 -0.041 A ATOM 15 C LIG 1 4.184 -1.403 0.221 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 6.615 -1.877 0.721 0.00 0.00 +0.013 C ATOM 17 C LIG 1 7.099 -2.288 2.114 0.00 0.00 +0.012 C ATOM 18 C LIG 1 7.742 -1.214 -0.074 0.00 0.00 +0.012 C ENDBRANCH 14 16 ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 -2.259 -3.635 -3.647 0.00 0.00 +0.355 C ATOM 20 O LIG 1 -1.731 -4.512 -4.310 0.00 0.00 -0.243 OA BRANCH 19 21 ATOM 21 OXT LIG 1 -3.585 -3.406 -3.738 0.00 0.00 -0.476 OA ATOM 22 HXT LIG 1 -3.903 -4.064 -4.387 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 5 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.530 0.019 -0.516 0.00 0.00 -0.325 N ATOM 24 H LIG 1 -2.046 0.912 -0.588 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.943 0.119 -0.911 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.410 1.550 -0.623 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -4.778 -0.930 -0.164 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -6.334 -0.881 -0.194 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -6.304 -1.501 1.220 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -4.901 -0.877 1.387 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 1 31 ATOM 31 C LIG 1 0.164 0.399 1.046 0.00 0.00 +0.159 C BRANCH 31 36 ATOM 32 C LIG 1 -0.959 5.960 -0.339 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -0.639 4.541 0.030 0.00 0.00 -0.050 A ATOM 34 C LIG 1 -1.356 3.892 1.038 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -1.078 2.561 1.358 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -0.096 1.839 0.660 0.00 0.00 -0.028 A ATOM 37 C LIG 1 0.624 2.501 -0.343 0.00 0.00 +0.005 A ATOM 38 C LIG 1 0.347 3.833 -0.663 0.00 0.00 +0.004 A ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 9