REMARK Name = BDB010354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.852 -1.666 -0.624 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.771 -0.903 -1.032 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.341 -1.352 -0.352 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.172 -2.307 0.512 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.555 -2.993 1.408 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.851 -2.654 1.364 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.442 -1.750 0.563 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.704 -1.061 -0.331 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.515 -2.466 0.358 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.720 -3.360 2.332 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.187 -4.302 3.128 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.228 -4.609 3.152 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.179 -4.770 3.896 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.078 -5.637 4.749 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.334 -4.106 3.566 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.987 -3.182 2.527 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 3.094 -1.501 -1.156 0.00 0.00 -0.298 N ATOM 18 C LIG 1 3.298 -2.135 -2.468 0.00 0.00 +0.132 C BRANCH 17 19 ATOM 19 C LIG 1 4.222 -1.738 -0.215 0.00 0.00 +0.168 C BRANCH 19 22 ATOM 20 C LIG 1 3.522 -3.829 2.286 0.00 0.00 +0.071 C ATOM 21 C LIG 1 4.404 -4.009 1.115 0.00 0.00 +0.106 A ATOM 22 C LIG 1 4.700 -3.134 0.050 0.00 0.00 +0.124 A ATOM 23 N LIG 1 5.572 -3.725 -0.777 0.00 0.00 -0.052 NA ATOM 24 O LIG 1 5.798 -4.981 -0.226 0.00 0.00 -0.242 OA ATOM 25 N LIG 1 5.081 -5.149 0.951 0.00 0.00 -0.054 NA ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 8 26 ATOM 26 N LIG 1 -2.320 -0.149 -1.168 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -1.728 0.491 -1.670 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.629 0.395 -0.804 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -4.428 0.557 -2.102 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -3.469 1.771 -0.132 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -2.811 1.825 1.279 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -4.227 1.784 1.880 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -4.740 2.358 0.547 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 0.831 0.237 -1.931 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 0.716 1.594 -1.208 0.00 0.00 +0.009 C ATOM 36 C LIG 1 0.435 2.707 -2.229 0.00 0.00 +0.005 C ATOM 37 C LIG 1 0.339 4.077 -1.561 0.00 0.00 +0.003 C ATOM 38 C LIG 1 1.599 4.400 -0.750 0.00 0.00 -0.014 C ATOM 39 C LIG 1 1.459 5.751 -0.052 0.00 0.00 +0.007 C ATOM 40 C LIG 1 1.888 3.291 0.269 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.980 1.919 -0.396 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9