REMARK Name = BDB026329 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.232 1.933 0.320 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 0.130 0.685 -0.396 0.00 0.00 +0.103 C ATOM 3 C LIG 1 1.557 0.679 -0.991 0.00 0.00 +0.120 C ATOM 4 N LIG 1 2.555 0.835 0.082 0.00 0.00 -0.326 N ATOM 5 C LIG 1 2.159 1.687 1.218 0.00 0.00 +0.120 C ATOM 6 C LIG 1 0.971 2.608 0.851 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.878 0.471 -0.105 0.00 0.00 +0.048 A ATOM 8 C LIG 1 4.426 0.149 -1.354 0.00 0.00 +0.134 A ATOM 9 N LIG 1 5.709 -0.227 -1.593 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 6.528 -0.294 -0.521 0.00 0.00 +0.125 A ATOM 11 C LIG 1 6.109 -0.004 0.769 0.00 0.00 +0.035 A ATOM 12 C LIG 1 4.777 0.376 0.966 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 7.944 -0.711 -0.786 0.00 0.00 +0.262 C ATOM 14 N LIG 1 8.498 -1.578 0.147 0.00 0.00 -0.313 N ATOM 15 H LIG 1 7.869 -2.077 0.761 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 9.799 -2.152 -0.090 0.00 0.00 +0.128 C ATOM 17 O LIG 1 8.553 -0.314 -1.773 0.00 0.00 -0.269 OA ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 -1.226 1.688 1.373 0.00 0.00 +0.121 C BRANCH 18 28 ATOM 19 C LIG 1 -6.843 -1.098 -0.403 0.00 0.00 +0.019 A ATOM 20 C LIG 1 -6.119 -2.041 0.512 0.00 0.00 +0.252 A ATOM 21 O LIG 1 -6.583 -3.136 0.815 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 -4.906 -1.630 1.002 0.00 0.00 -0.321 N ATOM 23 H LIG 1 -4.436 -2.279 1.619 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -4.326 -0.399 0.677 0.00 0.00 +0.068 A ATOM 25 C LIG 1 -4.988 0.475 -0.182 0.00 0.00 +0.088 A ATOM 26 N LIG 1 -4.502 1.679 -0.549 0.00 0.00 -0.253 NA ATOM 27 C LIG 1 -3.297 2.019 -0.033 0.00 0.00 +0.116 A ATOM 28 C LIG 1 -2.555 1.217 0.837 0.00 0.00 -0.013 A ATOM 29 C LIG 1 -3.093 -0.024 1.197 0.00 0.00 +0.034 A ATOM 30 C LIG 1 -6.283 0.082 -0.727 0.00 0.00 +0.038 A BRANCH 19 32 ATOM 31 C LIG 1 -9.293 -1.405 0.064 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -8.168 -1.550 -0.951 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 5