REMARK Name = BDB015248 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.655 -1.208 -0.365 0.00 0.00 +0.154 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.263 -2.561 -0.639 0.00 0.00 -0.388 OA ATOM 3 H LIG 1 1.066 -3.104 -0.526 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -0.399 -0.222 -0.920 0.00 0.00 +0.118 C BRANCH 4 5 ATOM 5 N LIG 1 -1.703 -0.268 -0.226 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -2.737 0.384 -1.054 0.00 0.00 +0.120 C ATOM 7 C LIG 1 -4.077 0.542 -0.365 0.00 0.00 -0.030 A ATOM 8 C LIG 1 -4.185 0.467 1.034 0.00 0.00 -0.042 A ATOM 9 C LIG 1 -5.431 0.644 1.649 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -6.561 0.922 0.881 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -6.456 1.018 -0.505 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -2.971 0.128 1.859 0.00 0.00 +0.051 C ATOM 13 C LIG 1 -5.220 0.831 -1.125 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -1.659 0.366 1.099 0.00 0.00 +0.089 C ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 1 15 ATOM 15 C LIG 1 2.020 -0.961 -1.028 0.00 0.00 +0.192 C BRANCH 15 16 ATOM 16 O LIG 1 2.988 -1.904 -0.539 0.00 0.00 -0.373 OA BRANCH 16 17 ATOM 17 C LIG 1 3.639 -1.496 0.666 0.00 0.00 +0.196 C BRANCH 17 18 ATOM 18 C LIG 1 4.742 -0.510 0.402 0.00 0.00 -0.004 A ATOM 19 C LIG 1 5.630 -0.689 -0.654 0.00 0.00 +0.116 A ATOM 20 N LIG 1 6.657 0.146 -0.933 0.00 0.00 -0.263 NA ATOM 21 C LIG 1 6.815 1.208 -0.116 0.00 0.00 +0.111 A ATOM 22 C LIG 1 5.996 1.472 0.969 0.00 0.00 +0.020 A ATOM 23 C LIG 1 4.946 0.595 1.232 0.00 0.00 +0.009 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 7