REMARK Name = BDB012806 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.616 -0.446 1.418 0.00 0.00 +0.264 C ATOM 2 N LIG 1 -0.388 -0.039 0.559 0.00 0.00 -0.294 N ATOM 3 C LIG 1 -1.778 -0.097 0.991 0.00 0.00 +0.130 C ATOM 4 C LIG 1 -2.555 0.602 -0.128 0.00 0.00 +0.095 C ATOM 5 C LIG 1 -1.743 0.222 -1.368 0.00 0.00 +0.043 C ATOM 6 C LIG 1 -0.306 0.275 -0.859 0.00 0.00 +0.110 C ATOM 7 O LIG 1 0.335 -0.857 2.545 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 4.060 -0.141 0.178 0.00 0.00 +0.066 A ATOM 9 N LIG 1 4.203 -0.926 1.250 0.00 0.00 -0.178 NA ATOM 10 N LIG 1 2.957 -1.044 1.733 0.00 0.00 -0.272 N ATOM 11 H LIG 1 2.804 -1.587 2.577 0.00 0.00 +0.189 HD ATOM 12 C LIG 1 1.997 -0.393 1.000 0.00 0.00 +0.121 A ATOM 13 C LIG 1 2.704 0.225 -0.013 0.00 0.00 +0.057 A BRANCH 8 15 ATOM 14 C LIG 1 6.253 1.082 0.147 0.00 0.00 +0.014 C ATOM 15 C LIG 1 5.243 0.261 -0.656 0.00 0.00 +0.033 C ATOM 16 C LIG 1 5.921 -0.950 -1.300 0.00 0.00 +0.014 C ENDBRANCH 8 15 ENDBRANCH 1 12 BRANCH 4 17 ATOM 17 N LIG 1 -3.974 0.288 -0.196 0.00 0.00 -0.297 N ATOM 18 C LIG 1 -4.487 -0.993 -0.384 0.00 0.00 +0.216 C ATOM 19 O LIG 1 -3.865 -1.994 -0.696 0.00 0.00 -0.276 OA ATOM 20 C LIG 1 -5.962 -0.959 -0.060 0.00 0.00 +0.097 C ATOM 21 C LIG 1 -6.271 0.529 0.009 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -4.952 1.143 0.431 0.00 0.00 +0.108 C ENDBRANCH 4 17 TORSDOF 3