REMARK Name = BDB065378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.988 1.968 -0.661 0.00 0.00 -0.251 N ATOM 2 N LIG 1 2.300 2.107 -1.961 0.00 0.00 -0.065 NA ATOM 3 N LIG 1 3.602 2.349 -2.036 0.00 0.00 -0.133 NA ATOM 4 C LIG 1 4.109 2.353 -0.761 0.00 0.00 +0.103 A ATOM 5 C LIG 1 3.083 2.125 0.131 0.00 0.00 +0.135 A ENDROOT BRANCH 1 6 ATOM 6 C LIG 1 0.635 1.649 -0.257 0.00 0.00 +0.145 C BRANCH 6 7 ATOM 7 C LIG 1 0.438 0.142 -0.092 0.00 0.00 +0.024 C BRANCH 7 8 ATOM 8 C LIG 1 -0.966 -0.227 0.393 0.00 0.00 +0.006 C BRANCH 8 9 ATOM 9 C LIG 1 -2.016 -0.154 -0.722 0.00 0.00 +0.035 C BRANCH 9 13 ATOM 10 C LIG 1 -5.995 -0.869 0.825 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -5.092 -1.931 0.679 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -3.809 -1.699 0.172 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -3.408 -0.406 -0.191 0.00 0.00 -0.047 A ATOM 14 C LIG 1 -4.313 0.653 -0.041 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -5.597 0.424 0.463 0.00 0.00 +0.015 A BRANCH 10 16 ATOM 16 C LIG 1 -7.372 -1.054 1.362 0.00 0.00 +0.339 C ATOM 17 O LIG 1 -8.156 -0.133 1.541 0.00 0.00 -0.245 OA BRANCH 16 19 ATOM 18 C LIG 1 -8.927 -2.620 2.127 0.00 0.00 +0.280 C ATOM 19 O LIG 1 -7.618 -2.365 1.613 0.00 0.00 -0.464 OA ENDBRANCH 16 19 ENDBRANCH 10 16 ENDBRANCH 9 13 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 1 6 BRANCH 4 20 ATOM 20 C LIG 1 5.561 2.550 -0.517 0.00 0.00 +0.186 C BRANCH 20 21 ATOM 21 N LIG 1 6.244 1.274 -0.642 0.00 0.00 -0.277 N ATOM 22 C LIG 1 6.377 0.450 0.448 0.00 0.00 +0.353 A ATOM 23 O LIG 1 5.933 0.767 1.551 0.00 0.00 -0.244 OA ATOM 24 N LIG 1 7.012 -0.745 0.267 0.00 0.00 -0.159 NA ATOM 25 C LIG 1 7.412 -1.077 -0.911 0.00 0.00 +0.218 A ATOM 26 N LIG 1 7.221 -0.319 -2.017 0.00 0.00 -0.205 NA ATOM 27 C LIG 1 6.651 0.816 -1.850 0.00 0.00 +0.207 A BRANCH 25 28 ATOM 28 N LIG 1 8.040 -2.264 -1.090 0.00 0.00 -0.327 N ATOM 29 H LIG 1 7.828 -2.931 -0.359 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 7.937 -2.625 -2.030 0.00 0.00 +0.145 HD ENDBRANCH 25 28 ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 10