REMARK Name = BDB010376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.041 2.443 0.461 0.00 0.00 +0.199 A ATOM 2 N LIG 1 0.705 1.125 0.727 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.643 1.086 1.019 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -1.035 2.415 0.930 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -2.277 2.859 1.173 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -3.101 1.879 1.536 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.826 0.558 1.645 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.584 0.114 1.360 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.004 3.224 0.566 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.499 2.248 1.850 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.353 1.286 2.240 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -5.149 0.308 2.355 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.534 1.877 2.457 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.556 1.319 2.823 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.404 3.218 2.196 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.041 3.422 1.798 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 2.301 2.817 0.134 0.00 0.00 -0.305 N ATOM 18 H LIG 1 3.081 2.253 0.454 0.00 0.00 +0.150 HD BRANCH 17 20 ATOM 19 C LIG 1 2.113 4.889 -1.180 0.00 0.00 +0.036 C ATOM 20 C LIG 1 2.626 4.251 0.117 0.00 0.00 +0.139 C BRANCH 20 21 ATOM 21 C LIG 1 4.100 4.481 0.257 0.00 0.00 +0.157 A ATOM 22 O LIG 1 4.553 4.715 1.521 0.00 0.00 -0.358 OA ATOM 23 N LIG 1 5.929 4.876 1.496 0.00 0.00 -0.086 NA ATOM 24 C LIG 1 6.278 4.738 0.216 0.00 0.00 +0.157 A ATOM 25 C LIG 1 5.170 4.479 -0.609 0.00 0.00 +0.069 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 8 26 ATOM 26 N LIG 1 -1.308 -1.242 1.426 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -0.558 -1.534 0.815 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.412 -2.203 1.478 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -1.893 -3.451 2.200 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -2.865 -2.594 0.069 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -3.682 -1.556 -0.754 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -4.466 -2.748 -1.339 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -4.117 -3.510 -0.045 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 1.653 0.026 0.776 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 2.148 -0.460 -0.603 0.00 0.00 +0.009 C ATOM 36 C LIG 1 1.046 -1.112 -1.465 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.043 -2.634 -1.351 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.374 -3.255 -1.811 0.00 0.00 -0.014 C ATOM 39 C LIG 1 2.304 -3.714 -3.269 0.00 0.00 +0.007 C ATOM 40 C LIG 1 3.567 -2.304 -1.611 0.00 0.00 +0.003 C ATOM 41 C LIG 1 3.356 -1.398 -0.404 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9