REMARK Name = BDB010442 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.947 -0.635 0.478 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.563 -0.810 0.455 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.003 -1.786 1.256 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.343 -1.832 1.121 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.664 -0.974 0.174 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.690 -2.603 2.067 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.005 -2.406 2.008 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.528 -0.247 -0.194 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.643 -1.486 1.263 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.936 -0.872 -0.320 0.00 0.00 -0.289 N ATOM 11 C LIG 1 -4.044 -1.484 0.474 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -5.165 -0.408 0.573 0.00 0.00 +0.187 C ATOM 13 O LIG 1 -5.704 0.040 -0.685 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 -4.858 -0.257 -1.803 0.00 0.00 +0.179 C ATOM 15 C LIG 1 -3.360 -0.108 -1.494 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 -4.476 -2.853 -0.076 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -3.512 -3.822 -0.408 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -3.877 -5.085 -0.882 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -5.220 -5.414 -1.026 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.195 -4.482 -0.690 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.828 -3.219 -0.214 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 C LIG 1 2.847 -3.255 2.841 0.00 0.00 +0.219 A ATOM 23 N LIG 1 2.422 -4.305 3.617 0.00 0.00 -0.226 N ATOM 24 C LIG 1 1.103 -4.846 3.806 0.00 0.00 +0.176 C ATOM 25 N LIG 1 3.466 -4.861 4.258 0.00 0.00 -0.044 NA ATOM 26 N LIG 1 4.521 -4.162 3.876 0.00 0.00 -0.023 NA ATOM 27 N LIG 1 4.160 -3.170 3.003 0.00 0.00 -0.105 NA ENDBRANCH 7 22 BRANCH 1 28 ATOM 28 N LIG 1 2.624 0.336 -0.250 0.00 0.00 -0.324 N ATOM 29 H LIG 1 2.140 1.222 -0.253 0.00 0.00 +0.148 HD BRANCH 28 31 ATOM 30 C LIG 1 4.320 1.303 1.248 0.00 0.00 +0.028 C ATOM 31 C LIG 1 4.067 0.488 -0.023 0.00 0.00 +0.072 C BRANCH 31 32 ATOM 32 C LIG 1 4.667 1.234 -1.220 0.00 0.00 +0.009 C ATOM 33 C LIG 1 6.217 1.257 -1.337 0.00 0.00 +0.005 C ATOM 34 C LIG 1 6.031 1.142 -2.864 0.00 0.00 +0.001 C ATOM 35 C LIG 1 4.673 0.471 -2.575 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 1 28 BRANCH 8 36 ATOM 36 C LIG 1 -0.457 0.906 -1.072 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 -0.929 2.231 -0.429 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -1.163 3.277 -1.540 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -1.118 4.698 -0.993 0.00 0.00 +0.003 C ATOM 40 C LIG 1 0.276 5.040 -0.439 0.00 0.00 -0.014 C ATOM 41 C LIG 1 0.173 6.167 0.590 0.00 0.00 +0.007 C ATOM 42 C LIG 1 0.994 3.809 0.142 0.00 0.00 +0.003 C ATOM 43 C LIG 1 0.012 2.767 0.671 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 8