REMARK Name = BDB010290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.940 1.849 0.037 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -0.325 0.735 0.463 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -0.897 -0.562 -0.004 0.00 0.00 +0.265 A ATOM 4 O LIG 1 -0.219 -1.571 0.190 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 -2.122 -0.511 -0.659 0.00 0.00 -0.232 N ATOM 6 C LIG 1 -2.585 0.706 -1.115 0.00 0.00 +0.122 A ATOM 7 N LIG 1 -1.997 1.827 -0.827 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -2.788 -1.761 -0.857 0.00 0.00 +0.239 A ATOM 9 N LIG 1 -3.675 -1.915 -1.853 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 -4.298 -3.111 -1.991 0.00 0.00 +0.161 A ATOM 11 C LIG 1 -4.090 -4.185 -1.167 0.00 0.00 +0.157 A ATOM 12 C LIG 1 -3.182 -3.940 -0.169 0.00 0.00 +0.161 A ATOM 13 N LIG 1 -2.546 -2.761 0.007 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 -4.661 -5.414 -1.217 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 -5.602 -5.642 -2.267 0.00 0.00 +0.226 C ATOM 16 C LIG 1 -6.115 -7.062 -2.136 0.00 0.00 +0.048 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 17 ATOM 17 C LIG 1 -3.825 0.849 -2.024 0.00 0.00 +0.050 C ATOM 18 C LIG 1 -3.417 0.639 -3.485 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -4.499 2.223 -1.881 0.00 0.00 +0.015 C ENDBRANCH 6 17 BRANCH 1 20 ATOM 20 C LIG 1 -0.549 3.258 0.448 0.00 0.00 +0.056 C BRANCH 20 21 ATOM 21 C LIG 1 -1.571 3.924 1.383 0.00 0.00 +0.006 C BRANCH 21 22 ATOM 22 C LIG 1 -1.584 3.301 2.781 0.00 0.00 +0.000 C BRANCH 22 24 ATOM 23 C LIG 1 -2.599 5.353 3.917 0.00 0.00 +0.004 C ATOM 24 C LIG 1 -2.674 3.854 3.698 0.00 0.00 -0.003 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 2 25 ATOM 25 C LIG 1 0.813 0.643 1.447 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 2.179 0.462 0.830 0.00 0.00 -0.025 A ATOM 27 C LIG 1 2.746 -0.802 0.699 0.00 0.00 +0.115 A ATOM 28 N LIG 1 3.998 -1.033 0.229 0.00 0.00 -0.255 NA ATOM 29 C LIG 1 4.714 0.041 -0.188 0.00 0.00 +0.072 A ATOM 30 C LIG 1 4.217 1.338 -0.127 0.00 0.00 +0.028 A ATOM 31 C LIG 1 2.941 1.548 0.392 0.00 0.00 +0.007 A BRANCH 29 32 ATOM 32 C LIG 1 6.071 -0.242 -0.664 0.00 0.00 +0.011 A ATOM 33 C LIG 1 7.144 -0.556 0.200 0.00 0.00 +0.030 A ATOM 34 C LIG 1 8.441 -0.730 -0.312 0.00 0.00 +0.012 A ATOM 35 C LIG 1 8.681 -0.624 -1.682 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.632 -0.333 -2.545 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.342 -0.142 -2.043 0.00 0.00 +0.011 A BRANCH 33 38 ATOM 38 C LIG 1 7.000 -0.675 1.662 0.00 0.00 +0.183 A ATOM 39 N LIG 1 5.909 -1.223 2.205 0.00 0.00 -0.271 N ATOM 40 H LIG 1 5.091 -1.571 1.721 0.00 0.00 +0.174 HD ATOM 41 C LIG 1 6.060 -1.160 3.533 0.00 0.00 +0.440 A ATOM 42 O LIG 1 5.253 -1.531 4.371 0.00 0.00 -0.221 OA ATOM 43 O LIG 1 7.284 -0.597 3.803 0.00 0.00 -0.295 OA ATOM 44 N LIG 1 7.877 -0.299 2.535 0.00 0.00 -0.054 NA ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 12