REMARK Name = BDB034484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.806 -4.714 -1.750 0.00 0.00 +0.009 C ATOM 2 C LIG 1 0.034 -3.437 -1.865 0.00 0.00 +0.003 C ATOM 3 C LIG 1 0.284 -2.789 -0.479 0.00 0.00 +0.112 C ATOM 4 N LIG 1 -0.444 -1.526 -0.306 0.00 0.00 -0.290 N ATOM 5 C LIG 1 0.262 -0.321 -0.439 0.00 0.00 +0.247 C ATOM 6 O LIG 1 -0.100 0.619 -1.143 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -1.819 -1.584 -0.810 0.00 0.00 +0.107 C ATOM 8 C LIG 1 -1.815 -1.690 -2.346 0.00 0.00 +0.027 C ATOM 9 C LIG 1 -0.586 -2.452 -2.873 0.00 0.00 +0.007 C ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 1.519 -0.163 0.342 0.00 0.00 +0.039 A ATOM 11 C LIG 1 2.557 0.600 -0.205 0.00 0.00 +0.041 A ATOM 12 C LIG 1 3.729 0.765 0.536 0.00 0.00 +0.074 A ATOM 13 C LIG 1 3.890 0.198 1.813 0.00 0.00 +0.090 A ATOM 14 N LIG 1 5.064 0.348 2.585 0.00 0.00 -0.229 NA ATOM 15 C LIG 1 6.068 1.037 2.111 0.00 0.00 +0.142 A ATOM 16 C LIG 1 5.964 1.638 0.814 0.00 0.00 +0.106 A ATOM 17 C LIG 1 6.816 2.388 0.038 0.00 0.00 +0.142 A ATOM 18 N LIG 1 6.219 2.730 -1.151 0.00 0.00 -0.243 NA ATOM 19 C LIG 1 5.021 2.184 -1.104 0.00 0.00 +0.204 A ATOM 20 C LIG 1 2.833 -0.540 2.348 0.00 0.00 +0.030 A ATOM 21 N LIG 1 4.823 1.502 0.065 0.00 0.00 -0.294 N ATOM 22 C LIG 1 1.649 -0.716 1.624 0.00 0.00 +0.015 A BRANCH 15 23 ATOM 23 N LIG 1 7.172 1.159 2.905 0.00 0.00 -0.341 N ATOM 24 H LIG 1 7.670 2.037 2.831 0.00 0.00 +0.144 HD ATOM 25 H LIG 1 6.972 0.896 3.864 0.00 0.00 +0.144 HD ENDBRANCH 15 23 ENDBRANCH 5 10 BRANCH 7 26 ATOM 26 C LIG 1 -2.749 -0.577 -0.145 0.00 0.00 -0.027 A ATOM 27 C LIG 1 -3.208 0.585 -0.784 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -4.050 1.489 -0.120 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -4.613 2.688 -0.830 0.00 0.00 +0.046 C ATOM 30 C LIG 1 -4.894 3.823 0.141 0.00 0.00 +0.101 C ATOM 31 C LIG 1 -5.642 3.349 1.365 0.00 0.00 +0.218 C ATOM 32 N LIG 1 -5.300 2.115 1.851 0.00 0.00 -0.285 N ATOM 33 H LIG 1 -5.703 1.866 2.744 0.00 0.00 +0.155 HD ATOM 34 O LIG 1 -6.447 4.062 1.962 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 -4.446 1.225 1.193 0.00 0.00 +0.037 A ATOM 36 C LIG 1 -4.012 0.075 1.843 0.00 0.00 +0.024 A ATOM 37 C LIG 1 -3.159 -0.811 1.182 0.00 0.00 +0.007 A ENDBRANCH 7 26 TORSDOF 3