REMARK Name = BDB031706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.135 -2.571 0.653 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.582 -3.118 -0.521 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.315 -2.686 -0.930 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.436 -1.751 -0.231 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.644 -1.596 -0.986 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.637 -2.394 -2.057 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.102 -1.215 0.954 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.459 -3.023 -2.004 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.241 -3.683 -2.741 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.371 -1.639 1.377 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.237 1.520 -0.209 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.044 0.132 -0.137 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.646 -0.588 0.884 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.663 -2.045 1.252 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.494 -3.004 1.152 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.575 -2.108 2.456 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.981 -0.813 2.727 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.604 -0.586 3.485 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -5.880 -3.122 3.060 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.671 -3.122 0.205 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.449 0.095 1.809 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -5.662 1.456 1.769 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.041 2.174 0.742 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.719 3.533 -1.371 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.591 2.122 -1.256 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.623 -0.754 -0.585 0.00 0.00 -0.280 N ATOM 27 H LIG 1 2.468 -0.178 0.233 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 3.783 -0.319 -1.259 0.00 0.00 +0.167 A ATOM 29 C LIG 1 4.697 0.454 -0.551 0.00 0.00 +0.164 A ATOM 30 O LIG 1 4.536 0.880 0.748 0.00 0.00 -0.488 OA ATOM 31 C LIG 1 5.854 1.369 1.108 0.00 0.00 +0.239 C ATOM 32 C LIG 1 6.611 1.755 -0.173 0.00 0.00 +0.086 C ATOM 33 C LIG 1 5.869 0.904 -1.136 0.00 0.00 +0.008 A ATOM 34 C LIG 1 6.162 0.568 -2.439 0.00 0.00 +0.027 A ATOM 35 C LIG 1 5.224 -0.216 -3.093 0.00 0.00 +0.113 A ATOM 36 N LIG 1 4.062 -0.653 -2.539 0.00 0.00 -0.237 NA BRANCH 32 37 ATOM 37 C LIG 1 6.482 3.242 -0.493 0.00 0.00 +0.167 C BRANCH 37 38 ATOM 38 O LIG 1 7.226 3.998 0.457 0.00 0.00 -0.394 OA ATOM 39 H LIG 1 7.128 4.936 0.214 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 32 37 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6