REMARK Name = BDB048203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.514 0.234 -0.908 0.00 0.00 +0.250 C ATOM 2 N LIG 1 0.624 -0.587 -0.838 0.00 0.00 -0.293 N ATOM 3 O LIG 1 -0.473 1.445 -1.109 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 1.906 0.060 -1.206 0.00 0.00 +0.091 C ATOM 5 C LIG 1 3.115 -0.393 -0.373 0.00 0.00 +0.037 C ATOM 6 C LIG 1 4.389 0.334 -0.840 0.00 0.00 +0.091 C ATOM 7 C LIG 1 4.586 0.117 -2.346 0.00 0.00 +0.093 C ATOM 8 N LIG 1 3.443 0.593 -3.133 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 3.326 1.599 -2.999 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 2.203 -0.081 -2.720 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 5.615 -0.186 -0.094 0.00 0.00 +0.220 C ATOM 12 N LIG 1 6.708 0.658 0.028 0.00 0.00 -0.297 N ATOM 13 C LIG 1 7.893 0.187 0.754 0.00 0.00 +0.136 C ATOM 14 C LIG 1 8.529 1.321 1.564 0.00 0.00 +0.179 C ATOM 15 O LIG 1 8.915 2.454 0.773 0.00 0.00 -0.377 OA ATOM 16 C LIG 1 8.184 2.589 -0.452 0.00 0.00 +0.179 C ATOM 17 C LIG 1 6.745 2.074 -0.359 0.00 0.00 +0.136 C ATOM 18 O LIG 1 5.639 -1.337 0.347 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 20 ATOM 19 C LIG 1 -2.573 -0.253 0.429 0.00 0.00 +0.057 A ATOM 20 C LIG 1 -1.845 -0.347 -0.741 0.00 0.00 +0.076 A ATOM 21 C LIG 1 -2.476 -0.936 -1.812 0.00 0.00 +0.127 A ATOM 22 N LIG 1 -3.713 -1.470 -1.747 0.00 0.00 -0.239 NA ATOM 23 C LIG 1 -4.349 -1.381 -0.560 0.00 0.00 +0.135 A ATOM 24 N LIG 1 -3.816 -0.790 0.530 0.00 0.00 -0.236 NA BRANCH 23 25 ATOM 25 C LIG 1 -5.766 -1.943 -0.468 0.00 0.00 +0.022 C ATOM 26 C LIG 1 -6.306 -1.907 0.975 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -5.774 -3.405 -0.950 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -6.694 -1.099 -1.359 0.00 0.00 +0.019 C ENDBRANCH 23 25 BRANCH 19 29 ATOM 29 C LIG 1 -2.044 0.418 1.673 0.00 0.00 +0.056 C BRANCH 29 30 ATOM 30 C LIG 1 -2.910 1.598 2.129 0.00 0.00 +0.006 C BRANCH 30 31 ATOM 31 C LIG 1 -2.862 2.783 1.156 0.00 0.00 +0.000 C BRANCH 31 32 ATOM 32 C LIG 1 -3.771 3.940 1.586 0.00 0.00 -0.000 C BRANCH 32 34 ATOM 33 C LIG 1 -6.010 2.749 1.187 0.00 0.00 +0.004 C ATOM 34 C LIG 1 -5.139 3.959 0.897 0.00 0.00 -0.003 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 19 29 ENDBRANCH 1 20 BRANCH 2 35 ATOM 35 C LIG 1 0.560 -2.062 -0.808 0.00 0.00 +0.111 C BRANCH 35 36 ATOM 36 C LIG 1 0.159 -2.677 0.547 0.00 0.00 +0.000 C ATOM 37 C LIG 1 1.101 -2.283 1.682 0.00 0.00 +0.009 C ATOM 38 C LIG 1 0.106 -4.202 0.422 0.00 0.00 +0.009 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 11