REMARK Name = BDB010324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.144 -0.220 -0.063 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.209 -0.025 0.176 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.861 -1.210 -0.101 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.124 -1.998 -0.670 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.085 -3.221 -1.179 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.364 -3.602 -1.083 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.388 -2.905 -0.535 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -2.163 -1.689 -0.004 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.332 -1.373 -0.660 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 3.269 0.804 -0.685 0.00 0.00 +0.106 C ATOM 11 N LIG 1 2.078 0.739 0.194 0.00 0.00 -0.294 N ATOM 12 C LIG 1 2.308 1.142 1.582 0.00 0.00 +0.108 C ATOM 13 C LIG 1 2.714 2.614 1.601 0.00 0.00 +0.019 C ATOM 14 C LIG 1 3.938 2.885 0.731 0.00 0.00 +0.004 C ATOM 15 C LIG 1 3.826 2.248 -0.657 0.00 0.00 +0.027 C BRANCH 10 18 ATOM 16 C LIG 1 6.209 -1.304 0.720 0.00 0.00 +0.120 A ATOM 17 C LIG 1 5.269 -0.275 0.565 0.00 0.00 +0.051 A ATOM 18 C LIG 1 4.308 -0.296 -0.457 0.00 0.00 -0.024 A ATOM 19 C LIG 1 4.321 -1.402 -1.326 0.00 0.00 +0.006 A ATOM 20 C LIG 1 5.251 -2.433 -1.180 0.00 0.00 +0.004 A ATOM 21 C LIG 1 6.198 -2.383 -0.159 0.00 0.00 +0.045 A BRANCH 16 23 ATOM 22 C LIG 1 8.027 -2.161 1.989 0.00 0.00 +0.277 C ATOM 23 O LIG 1 7.074 -1.129 1.768 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 10 18 ENDBRANCH 1 11 BRANCH 6 24 ATOM 24 C LIG 1 -1.685 -4.963 -1.642 0.00 0.00 +0.375 C ATOM 25 O LIG 1 -0.916 -5.734 -2.193 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 -2.984 -5.318 -1.486 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 -3.030 -6.205 -1.896 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 6 24 BRANCH 8 28 ATOM 28 N LIG 1 -3.196 -0.975 0.587 0.00 0.00 -0.324 N ATOM 29 H LIG 1 -2.890 -0.400 1.360 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.474 -1.649 0.829 0.00 0.00 +0.072 C ATOM 31 C LIG 1 -5.564 -0.573 0.776 0.00 0.00 +0.028 C BRANCH 30 32 ATOM 32 C LIG 1 -4.493 -2.314 2.208 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -3.684 -3.630 2.399 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -4.802 -4.090 3.355 0.00 0.00 +0.001 C ATOM 35 C LIG 1 -5.748 -3.160 2.570 0.00 0.00 +0.005 C ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 8 28 BRANCH 2 36 ATOM 36 C LIG 1 -0.851 1.246 0.464 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 -1.610 1.855 -0.734 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -0.645 2.197 -1.889 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -1.207 3.299 -2.779 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -1.359 4.618 -2.003 0.00 0.00 -0.014 C ATOM 41 C LIG 1 -2.397 5.512 -2.683 0.00 0.00 +0.007 C ATOM 42 C LIG 1 -1.696 4.393 -0.517 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -2.438 3.079 -0.288 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 10