REMARK Name = BDB028190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.963 -0.295 -0.294 0.00 0.00 +0.001 A ATOM 2 C LIG 1 -0.306 0.301 -0.215 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -1.405 -0.426 0.260 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -1.227 -1.749 0.658 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -2.377 -2.508 1.176 0.00 0.00 +0.272 A ATOM 6 N LIG 1 -3.568 -1.829 1.238 0.00 0.00 -0.242 N ATOM 7 H LIG 1 -4.378 -2.337 1.580 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 -3.780 -0.546 0.844 0.00 0.00 -0.174 NA ATOM 9 O LIG 1 -2.260 -3.673 1.538 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 0.031 -2.356 0.573 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -2.777 0.137 0.373 0.00 0.00 +0.083 A ATOM 12 C LIG 1 1.121 -1.630 0.093 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 3.597 0.350 1.234 0.00 0.00 +0.150 C ATOM 14 N LIG 1 3.260 0.743 -0.113 0.00 0.00 -0.333 N ATOM 15 C LIG 1 2.093 0.476 -0.795 0.00 0.00 +0.068 A ATOM 16 C LIG 1 2.264 1.126 -2.006 0.00 0.00 +0.138 A ATOM 17 N LIG 1 3.478 1.757 -2.072 0.00 0.00 -0.243 NA ATOM 18 C LIG 1 4.056 1.506 -0.921 0.00 0.00 +0.199 A ENDBRANCH 1 15 BRANCH 11 19 ATOM 19 C LIG 1 -3.051 1.573 -0.074 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -3.196 1.624 -1.529 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -3.473 2.564 -1.808 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -2.313 1.429 -1.994 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 11 19 TORSDOF 3