REMARK Name = BDB022689 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.144 -0.054 -2.497 0.00 0.00 +0.139 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 -2.438 1.076 0.080 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -1.826 0.395 -0.974 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -0.516 0.714 -1.377 0.00 0.00 -0.029 A ATOM 5 C LIG 1 0.182 1.720 -0.699 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.421 2.405 0.353 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -1.724 2.085 0.738 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 -4.639 -0.131 0.052 0.00 0.00 +0.220 C ATOM 9 N LIG 1 -3.747 0.813 0.536 0.00 0.00 -0.285 N ATOM 10 H LIG 1 -4.057 1.376 1.318 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -4.437 -0.910 -0.873 0.00 0.00 -0.275 OA BRANCH 8 16 ATOM 12 C LIG 1 -9.851 0.075 -1.167 0.00 0.00 +0.239 C ATOM 13 N LIG 1 -8.679 0.022 -0.431 0.00 0.00 -0.298 N ATOM 14 C LIG 1 -8.228 1.059 0.497 0.00 0.00 +0.109 C ATOM 15 C LIG 1 -6.711 1.215 0.487 0.00 0.00 +0.032 C ATOM 16 C LIG 1 -5.976 -0.100 0.801 0.00 0.00 +0.078 C ATOM 17 C LIG 1 -6.832 -1.336 0.477 0.00 0.00 +0.032 C ATOM 18 C LIG 1 -7.757 -1.079 -0.706 0.00 0.00 +0.109 C ATOM 19 O LIG 1 -10.102 -0.675 -2.107 0.00 0.00 -0.271 OA BRANCH 12 21 ATOM 20 C LIG 1 -11.406 1.184 0.403 0.00 0.00 +0.013 C ATOM 21 C LIG 1 -10.853 1.111 -0.815 0.00 0.00 +0.060 C ENDBRANCH 12 21 ENDBRANCH 8 16 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 N LIG 1 0.769 -1.249 -1.979 0.00 0.00 -0.309 N ATOM 23 H LIG 1 0.122 -1.916 -1.557 0.00 0.00 +0.149 HD BRANCH 22 24 ATOM 24 C LIG 1 2.012 -1.236 -1.378 0.00 0.00 +0.223 A ATOM 25 N LIG 1 2.307 -2.269 -0.475 0.00 0.00 -0.183 N ATOM 26 C LIG 1 3.512 -2.328 0.167 0.00 0.00 +0.167 A ATOM 27 C LIG 1 3.450 -3.449 0.971 0.00 0.00 +0.017 A ATOM 28 C LIG 1 2.152 -3.976 0.734 0.00 0.00 +0.140 A ATOM 29 N LIG 1 4.453 -1.378 -0.072 0.00 0.00 -0.175 NA ATOM 30 C LIG 1 4.120 -0.448 -0.918 0.00 0.00 +0.323 A ATOM 31 N LIG 1 1.443 -3.256 -0.143 0.00 0.00 -0.170 NA ATOM 32 N LIG 1 2.924 -0.330 -1.589 0.00 0.00 -0.161 NA BRANCH 27 33 ATOM 33 C LIG 1 4.499 -3.980 1.880 0.00 0.00 +0.037 C ATOM 34 C LIG 1 5.492 -4.878 1.158 0.00 0.00 +0.009 C ENDBRANCH 27 33 BRANCH 30 35 ATOM 35 O LIG 1 4.951 0.570 -1.250 0.00 0.00 -0.459 OA BRANCH 35 36 ATOM 36 C LIG 1 6.257 0.608 -0.643 0.00 0.00 +0.179 C ATOM 37 C LIG 1 6.177 1.253 0.740 0.00 0.00 +0.060 C ATOM 38 C LIG 1 7.574 1.478 1.315 0.00 0.00 +0.087 C ATOM 39 N LIG 1 8.468 2.241 0.434 0.00 0.00 -0.305 NA ATOM 40 C LIG 1 8.130 3.663 0.399 0.00 0.00 +0.104 C ATOM 41 C LIG 1 8.531 1.652 -0.910 0.00 0.00 +0.087 C ATOM 42 C LIG 1 7.165 1.431 -1.555 0.00 0.00 +0.060 C ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 9