REMARK Name = BDB018108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.511 1.540 0.002 0.00 0.00 +0.063 C ATOM 2 C LIG 1 2.642 0.815 -1.028 0.00 0.00 +0.030 C ATOM 3 C LIG 1 1.163 0.966 -0.683 0.00 0.00 +0.108 C ATOM 4 N LIG 1 0.872 0.705 0.727 0.00 0.00 -0.300 N ATOM 5 C LIG 1 -0.408 0.775 1.269 0.00 0.00 +0.241 C ATOM 6 O LIG 1 -0.651 0.467 2.437 0.00 0.00 -0.273 OA ATOM 7 C LIG 1 1.970 0.231 1.562 0.00 0.00 +0.108 C ATOM 8 C LIG 1 3.186 1.149 1.452 0.00 0.00 +0.030 C ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 4.997 1.448 -0.338 0.00 0.00 +0.169 C ATOM 10 O LIG 1 5.586 2.475 -0.683 0.00 0.00 -0.292 OA BRANCH 9 15 ATOM 11 C LIG 1 8.624 -1.945 -0.605 0.00 0.00 +0.172 C ATOM 12 N LIG 1 7.349 -1.299 -0.408 0.00 0.00 -0.274 N ATOM 13 N LIG 1 6.292 -2.022 -0.004 0.00 0.00 -0.179 NA ATOM 14 C LIG 1 5.308 -1.123 0.075 0.00 0.00 +0.145 A ATOM 15 C LIG 1 5.719 0.180 -0.279 0.00 0.00 +0.055 A ATOM 16 C LIG 1 7.059 0.019 -0.587 0.00 0.00 +0.119 A ENDBRANCH 9 15 ENDBRANCH 1 9 BRANCH 5 17 ATOM 17 C LIG 1 -1.545 1.279 0.361 0.00 0.00 +0.256 C BRANCH 17 18 ATOM 18 O LIG 1 -1.841 0.467 -0.769 0.00 0.00 -0.363 OA BRANCH 18 19 ATOM 19 C LIG 1 -2.534 -0.729 -0.415 0.00 0.00 +0.234 C BRANCH 19 20 ATOM 20 C LIG 1 -4.043 -0.533 -0.415 0.00 0.00 +0.136 A ATOM 21 N LIG 1 -4.504 0.479 -1.214 0.00 0.00 -0.309 N ATOM 22 H LIG 1 -3.837 1.050 -1.718 0.00 0.00 +0.170 HD ATOM 23 C LIG 1 -5.828 0.808 -1.331 0.00 0.00 +0.259 A ATOM 24 O LIG 1 -6.213 1.741 -2.024 0.00 0.00 -0.267 OA ATOM 25 C LIG 1 -6.759 -0.035 -0.560 0.00 0.00 +0.067 A ATOM 26 C LIG 1 -6.211 -1.061 0.216 0.00 0.00 +0.113 A ATOM 27 C LIG 1 -7.096 -1.861 0.946 0.00 0.00 +0.149 A ATOM 28 C LIG 1 -8.475 -1.649 0.907 0.00 0.00 +0.040 A ATOM 29 C LIG 1 -9.000 -0.619 0.127 0.00 0.00 +0.004 A ATOM 30 F LIG 1 -6.628 -2.863 1.707 0.00 0.00 -0.203 F ATOM 31 C LIG 1 -8.140 0.193 -0.611 0.00 0.00 +0.015 A ATOM 32 N LIG 1 -4.821 -1.299 0.278 0.00 0.00 -0.228 NA ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 5 17 TORSDOF 6