REMARK Name = BDB061383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.429 -0.651 0.357 0.00 0.00 +0.228 A ATOM 2 C LIG 1 -0.770 0.572 0.207 0.00 0.00 +0.088 A ATOM 3 C LIG 1 -1.594 1.677 0.064 0.00 0.00 +0.146 A ATOM 4 N LIG 1 -0.806 2.784 -0.087 0.00 0.00 -0.345 N ATOM 5 H LIG 1 -1.169 3.719 -0.205 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 0.515 2.421 -0.046 0.00 0.00 +0.093 A ATOM 7 N LIG 1 -2.933 1.698 0.067 0.00 0.00 -0.215 NA ATOM 8 C LIG 1 -3.464 0.472 0.237 0.00 0.00 +0.132 A ATOM 9 C LIG 1 -4.959 0.376 0.229 0.00 0.00 +0.088 C ATOM 10 C LIG 1 0.578 1.049 0.139 0.00 0.00 +0.014 A ATOM 11 N LIG 1 -2.783 -0.687 0.371 0.00 0.00 -0.198 NA ENDROOT BRANCH 10 12 ATOM 12 C LIG 1 1.837 0.334 0.249 0.00 0.00 -0.011 A ATOM 13 C LIG 1 2.839 0.502 -0.711 0.00 0.00 +0.051 A ATOM 14 C LIG 1 4.034 -0.193 -0.572 0.00 0.00 +0.117 A ATOM 15 N LIG 1 4.266 -1.023 0.456 0.00 0.00 -0.241 NA ATOM 16 C LIG 1 3.288 -1.176 1.374 0.00 0.00 +0.113 A ATOM 17 C LIG 1 2.070 -0.526 1.318 0.00 0.00 +0.028 A BRANCH 14 18 ATOM 18 N LIG 1 5.045 -0.047 -1.528 0.00 0.00 -0.343 N ATOM 19 H LIG 1 4.697 -0.341 -2.435 0.00 0.00 +0.144 HD ATOM 20 H LIG 1 5.318 0.928 -1.590 0.00 0.00 +0.144 HD ENDBRANCH 14 18 ENDBRANCH 10 12 BRANCH 1 22 ATOM 21 C LIG 1 -1.527 -2.981 0.554 0.00 0.00 +0.279 C ATOM 22 O LIG 1 -0.708 -1.820 0.492 0.00 0.00 -0.479 OA ENDBRANCH 1 22 TORSDOF 3