REMARK Name = BDB055251 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.609 -1.456 0.618 0.00 0.00 +0.221 C ATOM 2 N LIG 1 -1.329 -2.233 -0.268 0.00 0.00 -0.310 N ATOM 3 H LIG 1 -0.980 -3.152 -0.513 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.936 -0.315 0.918 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 0.634 -2.153 1.143 0.00 0.00 +0.172 C BRANCH 5 9 ATOM 6 C LIG 1 3.563 1.621 2.297 0.00 0.00 +0.087 A ATOM 7 C LIG 1 2.817 0.408 2.487 0.00 0.00 +0.183 A ATOM 8 N LIG 1 2.085 -0.087 1.446 0.00 0.00 -0.282 N ATOM 9 C LIG 1 1.498 -1.235 1.931 0.00 0.00 +0.147 A ATOM 10 N LIG 1 1.887 -1.413 3.181 0.00 0.00 -0.133 NA ATOM 11 C LIG 1 2.087 0.565 0.226 0.00 0.00 +0.122 A ATOM 12 C LIG 1 2.818 1.692 0.096 0.00 0.00 +0.088 A ATOM 13 N LIG 1 2.716 -0.367 3.535 0.00 0.00 -0.128 NA ATOM 14 N LIG 1 3.558 2.239 1.143 0.00 0.00 -0.246 NA BRANCH 12 15 ATOM 15 C LIG 1 2.835 2.396 -1.208 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.987 1.698 -2.418 0.00 0.00 +0.010 A ATOM 17 C LIG 1 2.993 2.377 -3.640 0.00 0.00 +0.001 A ATOM 18 C LIG 1 2.857 3.765 -3.667 0.00 0.00 +0.000 A ATOM 19 C LIG 1 2.717 4.471 -2.474 0.00 0.00 +0.001 A ATOM 20 C LIG 1 2.711 3.792 -1.251 0.00 0.00 +0.010 A ENDBRANCH 12 15 BRANCH 6 21 ATOM 21 C LIG 1 4.378 2.185 3.440 0.00 0.00 +0.062 C BRANCH 21 23 ATOM 22 C LIG 1 6.694 2.799 4.201 0.00 0.00 +0.007 C ATOM 23 C LIG 1 5.882 1.915 3.253 0.00 0.00 -0.011 C ATOM 24 C LIG 1 6.227 0.442 3.496 0.00 0.00 +0.007 C ENDBRANCH 21 23 ENDBRANCH 6 21 ENDBRANCH 5 9 ENDBRANCH 1 5 BRANCH 2 25 ATOM 25 C LIG 1 -2.521 -1.743 -0.974 0.00 0.00 +0.102 C BRANCH 25 26 ATOM 26 C LIG 1 -3.672 -2.803 -0.913 0.00 0.00 +0.138 C BRANCH 26 27 ATOM 27 C LIG 1 -4.383 -2.981 0.454 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -3.474 -3.451 1.593 0.00 0.00 +0.006 C ATOM 29 C LIG 1 -4.290 -3.892 2.814 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -5.605 -3.128 2.978 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -5.521 -1.725 2.392 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -5.204 -1.746 0.890 0.00 0.00 +0.006 C ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 O LIG 1 -4.697 -2.506 -1.868 0.00 0.00 -0.390 OA ATOM 34 H LIG 1 -4.457 -2.936 -2.706 0.00 0.00 +0.210 HD ENDBRANCH 26 33 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 -2.129 -1.412 -2.442 0.00 0.00 +0.028 C BRANCH 35 36 ATOM 36 C LIG 1 -1.163 -0.211 -2.603 0.00 0.00 -0.009 C ATOM 37 C LIG 1 -1.829 1.102 -2.138 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.249 2.325 -2.835 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -1.456 2.267 -4.348 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -1.461 0.839 -4.910 0.00 0.00 +0.000 C ATOM 41 C LIG 1 -0.636 -0.111 -4.051 0.00 0.00 +0.003 C ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 2 25 TORSDOF 11