REMARK Name = BDB007832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.561 0.078 0.428 0.00 0.00 +0.127 A ATOM 2 N LIG 1 1.090 0.055 -0.816 0.00 0.00 -0.215 NA ATOM 3 C LIG 1 2.399 -0.231 -0.937 0.00 0.00 +0.143 A ATOM 4 N LIG 1 2.950 -0.146 -2.215 0.00 0.00 -0.319 N ATOM 5 H LIG 1 2.211 -0.138 -2.909 0.00 0.00 +0.148 HD ATOM 6 C LIG 1 4.098 -1.017 -2.452 0.00 0.00 +0.199 C ATOM 7 C LIG 1 5.086 -1.068 -1.276 0.00 0.00 +0.234 C ATOM 8 N LIG 1 4.562 -0.854 -0.022 0.00 0.00 -0.281 N ATOM 9 H LIG 1 5.184 -0.976 0.763 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 6.270 -1.371 -1.416 0.00 0.00 -0.274 OA ATOM 11 C LIG 1 3.214 -0.518 0.165 0.00 0.00 +0.074 A ATOM 12 C LIG 1 2.667 -0.476 1.437 0.00 0.00 +0.030 A ATOM 13 C LIG 1 1.313 -0.172 1.571 0.00 0.00 +0.046 A ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 -1.667 0.422 1.517 0.00 0.00 +0.235 C ATOM 15 N LIG 1 -0.795 0.388 0.452 0.00 0.00 -0.269 N ATOM 16 H LIG 1 -1.213 0.528 -0.464 0.00 0.00 +0.156 HD ATOM 17 O LIG 1 -1.384 0.181 2.687 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 -3.085 0.883 1.081 0.00 0.00 +0.137 C ATOM 19 C LIG 1 -4.129 0.432 2.101 0.00 0.00 +0.034 C BRANCH 18 21 ATOM 20 C LIG 1 -4.456 1.073 -0.933 0.00 0.00 +0.101 C ATOM 21 N LIG 1 -3.360 0.366 -0.283 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 -3.593 -0.627 -0.219 0.00 0.00 +0.122 HD ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 1 15 TORSDOF 3