REMARK Name = BDB059799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.131 1.763 -0.275 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.984 1.050 0.159 0.00 0.00 -0.287 N ATOM 3 C LIG 1 1.998 1.769 0.949 0.00 0.00 +0.159 C ATOM 4 C LIG 1 1.541 1.899 2.406 0.00 0.00 +0.038 C ATOM 5 C LIG 1 3.423 1.159 0.950 0.00 0.00 +0.237 C ATOM 6 O LIG 1 4.378 1.806 1.385 0.00 0.00 -0.274 OA ATOM 7 N LIG 1 3.554 -0.192 0.617 0.00 0.00 -0.287 N ATOM 8 C LIG 1 2.541 -0.800 -0.245 0.00 0.00 +0.127 C ATOM 9 C LIG 1 1.118 -0.404 0.131 0.00 0.00 +0.127 C ATOM 10 O LIG 1 -0.203 2.985 -0.111 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -1.312 0.981 -0.905 0.00 0.00 +0.162 C BRANCH 11 12 ATOM 12 N LIG 1 -2.009 0.214 0.153 0.00 0.00 -0.287 N ATOM 13 C LIG 1 -2.437 -1.082 -0.126 0.00 0.00 +0.233 C ATOM 14 O LIG 1 -2.140 -1.671 -1.165 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 -3.321 -1.755 0.955 0.00 0.00 +0.141 C ATOM 16 N LIG 1 -2.846 -1.382 2.307 0.00 0.00 -0.304 NA ATOM 17 H LIG 1 -1.888 -1.724 2.391 0.00 0.00 +0.123 HD ATOM 18 C LIG 1 -2.829 0.072 2.518 0.00 0.00 +0.100 C ATOM 19 C LIG 1 -2.636 0.936 1.259 0.00 0.00 +0.123 C BRANCH 15 20 ATOM 20 C LIG 1 -4.814 -1.486 0.685 0.00 0.00 +0.031 C BRANCH 20 21 ATOM 21 C LIG 1 -5.838 -2.366 1.434 0.00 0.00 -0.015 C ATOM 22 C LIG 1 -5.649 -3.857 1.157 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -5.884 -2.103 2.938 0.00 0.00 +0.007 C ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 11 12 BRANCH 11 24 ATOM 24 C LIG 1 -2.304 1.895 -1.653 0.00 0.00 +0.032 C BRANCH 24 25 ATOM 25 C LIG 1 -1.718 2.446 -2.958 0.00 0.00 +0.002 C BRANCH 25 27 ATOM 26 C LIG 1 -2.154 3.881 -4.983 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -2.727 3.335 -3.685 0.00 0.00 -0.003 C ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 11 24 ENDBRANCH 1 11 BRANCH 7 28 ATOM 28 C LIG 1 4.923 -0.754 0.495 0.00 0.00 +0.162 C BRANCH 28 29 ATOM 29 C LIG 1 5.677 -0.820 1.846 0.00 0.00 +0.231 C ATOM 30 O LIG 1 6.899 -0.902 1.946 0.00 0.00 -0.274 OA ATOM 31 N LIG 1 4.891 -0.987 2.955 0.00 0.00 -0.328 N ATOM 32 H LIG 1 5.386 -0.913 3.835 0.00 0.00 +0.145 HD ATOM 33 H LIG 1 3.964 -0.585 2.922 0.00 0.00 +0.145 HD ENDBRANCH 28 29 BRANCH 28 34 ATOM 34 C LIG 1 5.757 -0.052 -0.597 0.00 0.00 +0.041 C BRANCH 34 35 ATOM 35 C LIG 1 6.772 -0.979 -1.270 0.00 0.00 +0.098 C BRANCH 35 36 ATOM 36 C LIG 1 6.112 -2.022 -2.147 0.00 0.00 +0.211 C ATOM 37 O LIG 1 4.901 -2.138 -2.299 0.00 0.00 -0.276 OA ATOM 38 N LIG 1 6.986 -2.859 -2.775 0.00 0.00 -0.329 N ATOM 39 H LIG 1 6.604 -3.605 -3.341 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 7.977 -2.861 -2.576 0.00 0.00 +0.145 HD ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 28 34 ENDBRANCH 7 28 TORSDOF 12