REMARK Name = BDB062101 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.012 -1.993 -0.092 0.00 0.00 +0.097 A ATOM 2 C LIG 1 0.510 -0.691 0.065 0.00 0.00 +0.101 A ATOM 3 N LIG 1 1.855 -0.455 0.056 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 2.653 -1.535 -0.077 0.00 0.00 +0.234 A ATOM 5 C LIG 1 2.143 -2.814 -0.203 0.00 0.00 +0.178 A ATOM 6 N LIG 1 0.814 -3.073 -0.211 0.00 0.00 -0.248 NA ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -4.216 -3.002 -0.272 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -3.678 -2.011 -1.106 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -2.317 -1.683 -1.058 0.00 0.00 +0.011 A ATOM 10 C LIG 1 -1.446 -2.328 -0.165 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -1.983 -3.334 0.654 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -3.344 -3.661 0.606 0.00 0.00 +0.009 A BRANCH 7 17 ATOM 13 C LIG 1 -7.776 -3.674 0.737 0.00 0.00 +0.111 A ATOM 14 N LIG 1 -8.388 -3.995 -0.421 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 -7.620 -3.990 -1.529 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -6.270 -3.676 -1.532 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -5.646 -3.344 -0.323 0.00 0.00 -0.015 A ATOM 18 C LIG 1 -6.432 -3.349 0.836 0.00 0.00 +0.028 A ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 2 19 ATOM 19 C LIG 1 -0.300 0.524 0.275 0.00 0.00 +0.003 A ATOM 20 C LIG 1 -0.110 1.653 -0.537 0.00 0.00 +0.011 A ATOM 21 C LIG 1 -0.874 2.813 -0.357 0.00 0.00 +0.009 A ATOM 22 C LIG 1 -1.850 2.888 0.647 0.00 0.00 -0.018 A ATOM 23 C LIG 1 -2.028 1.767 1.471 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -1.262 0.608 1.293 0.00 0.00 +0.011 A BRANCH 22 25 ATOM 25 C LIG 1 -2.658 4.103 0.833 0.00 0.00 -0.015 A ATOM 26 C LIG 1 -4.056 4.047 0.853 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -4.775 5.220 1.030 0.00 0.00 +0.111 A ATOM 28 N LIG 1 -4.206 6.432 1.190 0.00 0.00 -0.263 NA ATOM 29 C LIG 1 -2.858 6.472 1.171 0.00 0.00 +0.111 A ATOM 30 C LIG 1 -2.055 5.356 0.997 0.00 0.00 +0.028 A ENDBRANCH 22 25 ENDBRANCH 2 19 BRANCH 4 31 ATOM 31 O LIG 1 4.023 -1.391 -0.089 0.00 0.00 -0.475 OA BRANCH 31 32 ATOM 32 C LIG 1 4.451 -0.035 0.073 0.00 0.00 +0.234 C BRANCH 32 33 ATOM 33 C LIG 1 5.985 0.002 0.047 0.00 0.00 +0.029 C ATOM 34 C LIG 1 6.499 1.418 0.337 0.00 0.00 +0.022 C ATOM 35 C LIG 1 8.020 1.493 0.213 0.00 0.00 +0.081 C ATOM 36 N LIG 1 8.479 1.040 -1.101 0.00 0.00 -0.316 NA ATOM 37 H LIG 1 8.083 1.647 -1.820 0.00 0.00 +0.122 HD ATOM 38 C LIG 1 8.061 -0.339 -1.357 0.00 0.00 +0.081 C ATOM 39 C LIG 1 6.542 -0.493 -1.297 0.00 0.00 +0.022 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 4 31 TORSDOF 7