REMARK Name = BDB022674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.711 -1.551 -2.023 0.00 0.00 +0.100 C ATOM 2 C LIG 1 -0.713 -2.928 -2.692 0.00 0.00 +0.033 C ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.564 -0.762 -2.286 0.00 0.00 -0.026 A ATOM 4 C LIG 1 1.158 -0.047 -1.227 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.313 0.714 -1.423 0.00 0.00 +0.034 A ATOM 6 C LIG 1 2.882 0.761 -2.700 0.00 0.00 +0.023 A ATOM 7 C LIG 1 2.296 0.076 -3.765 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.140 -0.675 -3.561 0.00 0.00 +0.005 A BRANCH 5 9 ATOM 9 N LIG 1 2.961 1.446 -0.404 0.00 0.00 -0.285 N ATOM 10 H LIG 1 3.794 1.944 -0.691 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 2.539 1.627 0.906 0.00 0.00 +0.222 C ATOM 12 O LIG 1 1.510 1.183 1.401 0.00 0.00 -0.275 OA BRANCH 11 13 ATOM 13 C LIG 1 3.547 2.422 1.732 0.00 0.00 +0.093 C ATOM 14 C LIG 1 4.664 1.475 2.174 0.00 0.00 +0.120 C ATOM 15 N LIG 1 5.710 2.159 2.940 0.00 0.00 -0.297 N ATOM 16 C LIG 1 7.022 1.722 3.060 0.00 0.00 +0.239 C ATOM 17 O LIG 1 7.912 2.406 3.561 0.00 0.00 -0.271 OA ATOM 18 C LIG 1 5.346 3.423 3.582 0.00 0.00 +0.108 C ATOM 19 C LIG 1 3.901 3.405 4.066 0.00 0.00 +0.020 C ATOM 20 C LIG 1 2.905 3.124 2.938 0.00 0.00 +0.016 C BRANCH 16 21 ATOM 21 C LIG 1 7.319 0.351 2.560 0.00 0.00 +0.064 C ATOM 22 C LIG 1 8.586 -0.019 2.317 0.00 0.00 -0.007 C BRANCH 22 23 ATOM 23 C LIG 1 8.986 -1.389 1.853 0.00 0.00 +0.111 C BRANCH 23 24 ATOM 24 N LIG 1 9.637 -1.454 0.542 0.00 0.00 -0.305 NA ATOM 25 C LIG 1 10.939 -0.792 0.513 0.00 0.00 +0.104 C ATOM 26 C LIG 1 8.781 -0.990 -0.544 0.00 0.00 +0.104 C ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 16 21 ENDBRANCH 11 13 ENDBRANCH 5 9 ENDBRANCH 1 3 BRANCH 1 27 ATOM 27 N LIG 1 -1.842 -0.768 -2.487 0.00 0.00 -0.307 N ATOM 28 H LIG 1 -1.616 0.182 -2.785 0.00 0.00 +0.149 HD BRANCH 27 32 ATOM 29 C LIG 1 -5.720 1.488 -1.725 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -5.176 0.250 -1.440 0.00 0.00 +0.166 A ATOM 31 N LIG 1 -3.938 0.250 -2.009 0.00 0.00 -0.183 N ATOM 32 C LIG 1 -3.086 -0.855 -1.891 0.00 0.00 +0.222 A ATOM 33 N LIG 1 -3.515 -1.888 -1.224 0.00 0.00 -0.181 NA ATOM 34 C LIG 1 -4.777 -1.853 -0.662 0.00 0.00 +0.220 A ATOM 35 N LIG 1 -3.608 1.397 -2.647 0.00 0.00 -0.170 NA ATOM 36 N LIG 1 -5.601 -0.841 -0.757 0.00 0.00 -0.195 NA ATOM 37 C LIG 1 -4.703 2.146 -2.470 0.00 0.00 +0.141 A BRANCH 29 39 ATOM 38 C LIG 1 -6.934 3.172 -0.328 0.00 0.00 +0.012 C ATOM 39 C LIG 1 -7.064 2.009 -1.314 0.00 0.00 +0.018 C ATOM 40 C LIG 1 -7.908 2.420 -2.523 0.00 0.00 +0.012 C ENDBRANCH 29 39 BRANCH 34 41 ATOM 41 N LIG 1 -5.107 -2.990 0.017 0.00 0.00 -0.310 N ATOM 42 H LIG 1 -4.457 -3.743 -0.166 0.00 0.00 +0.149 HD BRANCH 41 43 ATOM 43 C LIG 1 -6.446 -3.396 0.413 0.00 0.00 +0.077 C ATOM 44 C LIG 1 -7.373 -3.550 -0.790 0.00 0.00 +0.050 C ATOM 45 C LIG 1 -8.765 -3.991 -0.346 0.00 0.00 +0.161 C ATOM 46 O LIG 1 -9.112 -3.565 0.973 0.00 0.00 -0.380 OA ATOM 47 C LIG 1 -8.534 -2.310 1.317 0.00 0.00 +0.161 C ATOM 48 C LIG 1 -7.032 -2.478 1.492 0.00 0.00 +0.050 C ENDBRANCH 41 43 ENDBRANCH 34 41 ENDBRANCH 27 32 ENDBRANCH 1 27 TORSDOF 11