REMARK Name = BDB010783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.863 2.440 -1.253 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.287 1.340 -0.630 0.00 0.00 -0.319 N ATOM 3 C LIG 1 -0.808 0.959 -1.385 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.747 1.780 -2.498 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.593 1.715 -3.537 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.504 0.744 -3.382 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.649 -0.098 -2.342 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.810 -0.006 -1.292 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.271 2.674 -2.410 0.00 0.00 -0.208 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.476 0.615 -4.491 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.385 1.450 -5.541 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.708 2.183 -5.678 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.373 1.124 -6.384 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.613 1.662 -7.453 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.079 0.076 -5.842 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.452 -0.230 -4.589 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 3.000 3.417 -1.486 0.00 0.00 +0.021 C ATOM 18 C LIG 1 1.957 3.164 -0.673 0.00 0.00 +0.018 C BRANCH 18 19 ATOM 19 C LIG 1 1.956 3.768 0.685 0.00 0.00 -0.015 A ATOM 20 C LIG 1 3.070 3.670 1.535 0.00 0.00 +0.008 A ATOM 21 C LIG 1 3.030 4.205 2.824 0.00 0.00 +0.001 A ATOM 22 C LIG 1 1.878 4.843 3.280 0.00 0.00 +0.000 A ATOM 23 C LIG 1 0.766 4.951 2.448 0.00 0.00 +0.001 A ATOM 24 C LIG 1 0.804 4.416 1.158 0.00 0.00 +0.008 A ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 8 25 ATOM 25 N LIG 1 -1.958 -0.846 -0.198 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.781 -0.383 0.683 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.114 -1.749 -0.153 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -4.341 -0.995 0.355 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 -2.738 -2.945 0.735 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -2.495 -2.766 2.262 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -3.008 -4.212 2.432 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -3.803 -4.010 1.124 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 0.772 0.641 0.551 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 1.422 -0.727 0.255 0.00 0.00 +0.009 C ATOM 35 C LIG 1 1.638 -1.519 1.561 0.00 0.00 +0.005 C ATOM 36 C LIG 1 3.044 -1.332 2.123 0.00 0.00 +0.003 C ATOM 37 C LIG 1 4.128 -1.816 1.144 0.00 0.00 -0.014 C ATOM 38 C LIG 1 4.586 -3.237 1.476 0.00 0.00 +0.007 C ATOM 39 C LIG 1 3.675 -1.735 -0.324 0.00 0.00 +0.003 C ATOM 40 C LIG 1 2.731 -0.560 -0.546 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8