REMARK Name = BDB031908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.696 -2.958 -1.115 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.848 -3.638 -0.221 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.621 -3.054 0.117 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.188 -1.839 -0.397 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.093 -1.614 0.201 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -0.423 -2.620 1.017 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 2.021 -1.163 -1.306 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.617 -3.463 0.947 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.581 -4.312 1.498 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.255 -1.736 -1.653 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.246 0.222 1.171 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.842 -1.027 0.676 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.500 -1.575 -0.415 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.343 -2.858 -1.181 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.032 -3.536 -1.523 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.445 -2.805 -2.214 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.107 -1.603 -2.041 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.893 -1.328 -2.608 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.684 -3.673 -3.037 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.968 -4.142 -0.497 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.568 -0.867 -0.984 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.994 0.361 -0.524 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.316 0.909 0.569 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.857 1.936 2.778 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.520 0.662 2.245 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -0.821 -0.506 -0.076 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -0.435 0.165 -0.737 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.078 -0.056 0.383 0.00 0.00 +0.095 A ATOM 29 C LIG 1 -2.615 1.144 -0.123 0.00 0.00 +0.237 A ATOM 30 N LIG 1 -3.810 1.675 0.223 0.00 0.00 -0.207 NA ATOM 31 C LIG 1 -4.534 0.972 1.128 0.00 0.00 +0.129 A ATOM 32 C LIG 1 -4.092 -0.209 1.713 0.00 0.00 +0.035 A ATOM 33 C LIG 1 -2.856 -0.727 1.325 0.00 0.00 +0.031 A BRANCH 31 34 ATOM 34 C LIG 1 -5.841 1.543 1.571 0.00 0.00 +0.266 C ATOM 35 N LIG 1 -6.698 2.152 0.631 0.00 0.00 -0.290 N ATOM 36 O LIG 1 -6.120 1.461 2.772 0.00 0.00 -0.268 OA BRANCH 35 37 ATOM 37 C LIG 1 -7.722 3.032 1.162 0.00 0.00 +0.077 C ATOM 38 C LIG 1 -9.079 2.475 1.514 0.00 0.00 +0.024 C ATOM 39 C LIG 1 -8.953 3.515 0.443 0.00 0.00 +0.024 C ENDBRANCH 35 37 BRANCH 35 40 ATOM 40 C LIG 1 -6.455 2.171 -0.793 0.00 0.00 +0.077 C ATOM 41 C LIG 1 -6.184 0.907 -1.582 0.00 0.00 +0.024 C ATOM 42 C LIG 1 -7.466 1.638 -1.783 0.00 0.00 +0.024 C ENDBRANCH 35 40 ENDBRANCH 31 34 BRANCH 29 43 ATOM 43 O LIG 1 -1.827 1.808 -1.058 0.00 0.00 -0.478 OA ATOM 44 C LIG 1 -2.399 3.034 -1.500 0.00 0.00 +0.279 C ENDBRANCH 29 43 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 8