REMARK Name = BDB026625 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.204 -0.920 0.088 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.401 -0.192 -0.800 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.011 -0.365 -0.826 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -0.597 -1.273 0.035 0.00 0.00 +0.121 A ATOM 5 C LIG 1 0.202 -1.999 0.920 0.00 0.00 +0.047 A ATOM 6 C LIG 1 1.591 -1.827 0.949 0.00 0.00 +0.027 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 4.384 -2.033 1.765 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 4.572 -1.224 0.858 0.00 0.00 +0.237 C ATOM 9 N LIG 1 3.594 -0.681 0.041 0.00 0.00 -0.284 N ATOM 10 H LIG 1 3.885 0.011 -0.641 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 5.994 -0.808 0.516 0.00 0.00 +0.218 C BRANCH 11 12 ATOM 12 N LIG 1 6.129 0.592 0.164 0.00 0.00 -0.328 N ATOM 13 C LIG 1 5.904 1.651 0.996 0.00 0.00 +0.199 A ATOM 14 N LIG 1 6.068 2.791 0.364 0.00 0.00 -0.244 NA ATOM 15 C LIG 1 6.444 2.454 -0.910 0.00 0.00 +0.130 A ATOM 16 C LIG 1 6.488 1.088 -1.058 0.00 0.00 +0.107 A ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 17 ATOM 17 O LIG 1 -1.932 -1.544 0.125 0.00 0.00 -0.492 OA BRANCH 17 18 ATOM 18 C LIG 1 -2.837 -0.893 -0.767 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 C LIG 1 -3.291 0.478 -0.225 0.00 0.00 +0.027 C ATOM 20 C LIG 1 -4.266 1.163 -1.205 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.716 1.210 -0.716 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -6.114 -0.071 0.003 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -5.231 -0.353 1.220 0.00 0.00 +0.000 C ATOM 24 C LIG 1 -3.890 0.380 1.186 0.00 0.00 +0.007 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 4 17 TORSDOF 6