REMARK Name = BDB000071 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.321 -0.772 -0.134 0.00 0.00 -0.313 N ATOM 2 H LIG 1 -0.066 0.155 0.224 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.572 -0.394 0.757 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.509 -1.276 0.444 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.674 -2.653 0.686 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -2.859 -3.179 1.220 0.00 0.00 +0.041 A ATOM 7 N LIG 1 -3.020 -4.573 1.487 0.00 0.00 -0.274 N ATOM 8 C LIG 1 -4.259 -5.127 1.809 0.00 0.00 +0.220 C ATOM 9 C LIG 1 -5.454 -4.215 1.662 0.00 0.00 +0.101 C ATOM 10 C LIG 1 -5.150 -2.826 2.178 0.00 0.00 +0.046 C ATOM 11 O LIG 1 -4.421 -6.310 2.110 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -1.865 -5.457 1.433 0.00 0.00 +0.138 C ATOM 13 C LIG 1 -3.904 -2.302 1.526 0.00 0.00 -0.025 A ATOM 14 C LIG 1 -3.752 -0.926 1.306 0.00 0.00 +0.015 A BRANCH 3 20 ATOM 15 C LIG 1 -2.460 3.319 1.319 0.00 0.00 +0.215 A ATOM 16 N LIG 1 -2.340 3.833 0.078 0.00 0.00 -0.218 NA ATOM 17 C LIG 1 -2.288 2.959 -0.952 0.00 0.00 +0.043 A ATOM 18 C LIG 1 -2.139 3.527 -2.331 0.00 0.00 +0.066 C ATOM 19 C LIG 1 -2.365 1.581 -0.771 0.00 0.00 +0.032 A ATOM 20 C LIG 1 -2.490 1.060 0.523 0.00 0.00 -0.009 A ATOM 21 C LIG 1 -2.539 1.963 1.588 0.00 0.00 +0.075 A BRANCH 15 23 ATOM 22 C LIG 1 -2.400 5.535 2.062 0.00 0.00 +0.279 C ATOM 23 O LIG 1 -2.517 4.161 2.413 0.00 0.00 -0.480 OA ENDBRANCH 15 23 ENDBRANCH 3 20 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 C LIG 1 0.632 -1.324 -0.999 0.00 0.00 +0.044 A ATOM 25 C LIG 1 1.908 -0.784 -1.089 0.00 0.00 +0.071 A ATOM 26 C LIG 1 2.484 0.381 -0.419 0.00 0.00 +0.256 C ATOM 27 N LIG 1 3.787 0.476 -0.826 0.00 0.00 -0.222 N ATOM 28 C LIG 1 4.084 -0.476 -1.762 0.00 0.00 +0.255 C ATOM 29 O LIG 1 5.109 -0.636 -2.397 0.00 0.00 -0.270 OA ATOM 30 O LIG 1 1.865 1.103 0.341 0.00 0.00 -0.269 OA ATOM 31 C LIG 1 2.891 -1.306 -1.913 0.00 0.00 +0.051 A ATOM 32 C LIG 1 2.667 -2.405 -2.714 0.00 0.00 +0.014 A ATOM 33 C LIG 1 1.395 -2.975 -2.661 0.00 0.00 +0.003 A ATOM 34 C LIG 1 0.394 -2.440 -1.817 0.00 0.00 +0.024 A BRANCH 27 35 ATOM 35 C LIG 1 4.630 1.614 -0.494 0.00 0.00 +0.171 C ATOM 36 C LIG 1 4.590 2.624 -1.646 0.00 0.00 +0.240 C ATOM 37 O LIG 1 3.686 2.679 -2.477 0.00 0.00 -0.273 OA ATOM 38 N LIG 1 5.620 3.538 -1.671 0.00 0.00 -0.255 N ATOM 39 H LIG 1 5.591 4.213 -2.423 0.00 0.00 +0.158 HD ATOM 40 C LIG 1 6.761 3.542 -0.907 0.00 0.00 +0.219 C ATOM 41 O LIG 1 7.644 4.374 -1.094 0.00 0.00 -0.275 OA ATOM 42 C LIG 1 6.837 2.517 0.201 0.00 0.00 +0.098 C ATOM 43 C LIG 1 6.076 1.251 -0.164 0.00 0.00 +0.041 C ENDBRANCH 27 35 ENDBRANCH 1 24 TORSDOF 5