REMARK Name = BDB021462 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.970 -1.344 0.557 0.00 0.00 -0.030 A ATOM 2 C LIG 1 3.127 -0.326 1.020 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.753 -0.281 0.703 0.00 0.00 +0.133 A ATOM 4 O LIG 1 1.169 0.813 1.276 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -0.236 0.981 1.166 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -0.669 1.008 -0.287 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.057 -0.325 -0.708 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -0.218 -1.429 -0.571 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -0.601 -2.561 -0.875 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.201 -1.281 -0.109 0.00 0.00 +0.078 A ATOM 11 C LIG 1 2.060 -2.309 -0.564 0.00 0.00 +0.017 A ATOM 12 C LIG 1 3.418 -2.344 -0.240 0.00 0.00 +0.006 A ENDROOT BRANCH 1 13 ATOM 13 C LIG 1 5.437 -1.367 0.928 0.00 0.00 +0.119 C BRANCH 13 19 ATOM 14 C LIG 1 8.867 3.235 0.044 0.00 0.00 +0.109 C ATOM 15 C LIG 1 9.132 1.859 0.599 0.00 0.00 +0.213 C ATOM 16 N LIG 1 8.240 0.851 0.248 0.00 0.00 -0.299 N ATOM 17 C LIG 1 8.409 -0.445 0.910 0.00 0.00 +0.123 C ATOM 18 C LIG 1 7.733 -1.604 0.154 0.00 0.00 +0.103 C ATOM 19 N LIG 1 6.330 -1.356 -0.242 0.00 0.00 -0.295 NA ATOM 20 C LIG 1 6.278 -0.089 -1.000 0.00 0.00 +0.103 C ATOM 21 C LIG 1 6.902 1.126 -0.288 0.00 0.00 +0.123 C ATOM 22 O LIG 1 10.111 1.659 1.319 0.00 0.00 -0.276 OA ENDBRANCH 13 19 ENDBRANCH 1 13 BRANCH 7 23 ATOM 23 C LIG 1 -2.458 -0.545 -1.100 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -3.474 -0.335 0.043 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -3.128 -1.117 1.192 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -3.981 -1.330 1.625 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.898 -0.720 -0.422 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.873 -0.711 0.694 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -7.158 -1.311 0.273 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -8.022 -0.420 -0.594 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -7.879 0.980 -0.561 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -8.716 1.784 -1.346 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -9.704 1.206 -2.142 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -9.860 -0.178 -2.164 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.788 1.613 0.267 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -9.027 -0.987 -1.391 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.142 0.627 1.252 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 7