REMARK Name = BDB016193 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.169 0.383 0.410 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -1.018 0.101 -0.228 0.00 0.00 -0.300 N ATOM 3 H LIG 1 -1.047 0.055 -1.236 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.342 0.263 1.619 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 18 ATOM 5 C LIG 1 4.627 0.468 2.207 0.00 0.00 +0.028 C ATOM 6 C LIG 1 4.101 -0.767 1.478 0.00 0.00 +0.076 C ATOM 7 N LIG 1 2.821 -0.532 0.835 0.00 0.00 -0.339 N ATOM 8 H LIG 1 2.069 -0.432 1.533 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 2.629 0.372 -0.217 0.00 0.00 +0.061 A ATOM 10 C LIG 1 3.627 0.794 -1.124 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.296 1.702 -2.155 0.00 0.00 +0.025 A ATOM 12 C LIG 1 2.000 2.168 -2.344 0.00 0.00 +0.003 A ATOM 13 C LIG 1 0.994 1.723 -1.505 0.00 0.00 +0.015 A ATOM 14 N LIG 1 4.987 0.428 -1.128 0.00 0.00 -0.284 N ATOM 15 H LIG 1 5.587 0.910 -1.787 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 5.707 -0.481 -0.429 0.00 0.00 +0.219 C ATOM 17 O LIG 1 6.921 -0.551 -0.652 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 1.294 0.822 -0.470 0.00 0.00 +0.059 A ATOM 19 C LIG 1 5.062 -1.430 0.524 0.00 0.00 +0.118 C ENDBRANCH 1 18 BRANCH 2 20 ATOM 20 C LIG 1 -2.176 -0.407 0.489 0.00 0.00 +0.134 C BRANCH 20 21 ATOM 21 C LIG 1 -2.861 -1.456 -0.382 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -3.811 -1.115 -1.360 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -4.389 -2.099 -2.165 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.018 -3.433 -2.016 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.065 -3.786 -1.063 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.487 -2.805 -0.255 0.00 0.00 +0.006 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 C LIG 1 -3.112 0.698 0.977 0.00 0.00 -0.023 A ATOM 28 C LIG 1 -3.099 1.998 0.445 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -3.987 2.970 0.910 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.905 2.659 1.911 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.936 1.375 2.448 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.048 0.402 1.985 0.00 0.00 +0.006 A ENDBRANCH 20 27 ENDBRANCH 2 20 TORSDOF 4