REMARK Name = BDB018487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.290 -1.071 -0.143 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.330 0.074 -0.589 0.00 0.00 +0.123 A ATOM 3 N LIG 1 1.649 0.022 -0.180 0.00 0.00 -0.239 N ATOM 4 N LIG 1 1.895 -1.128 0.491 0.00 0.00 -0.174 NA ATOM 5 C LIG 1 0.732 -1.783 0.503 0.00 0.00 +0.143 A ENDROOT BRANCH 1 12 ATOM 6 C LIG 1 -3.519 -4.415 -1.524 0.00 0.00 +0.152 C ATOM 7 N LIG 1 -3.285 -3.076 -1.001 0.00 0.00 -0.318 N ATOM 8 C LIG 1 -4.371 -2.249 -0.746 0.00 0.00 +0.252 A ATOM 9 O LIG 1 -5.547 -2.550 -0.922 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -4.043 -0.904 -0.216 0.00 0.00 +0.079 A ATOM 11 C LIG 1 -2.769 -0.517 -0.021 0.00 0.00 -0.004 A ATOM 12 C LIG 1 -1.662 -1.440 -0.332 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -1.980 -2.665 -0.797 0.00 0.00 +0.098 A BRANCH 11 14 ATOM 14 C LIG 1 -2.593 0.840 0.542 0.00 0.00 -0.017 A ATOM 15 C LIG 1 -2.178 1.003 1.872 0.00 0.00 +0.011 A ATOM 16 C LIG 1 -1.986 2.283 2.397 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -2.213 3.394 1.593 0.00 0.00 +0.123 A ATOM 18 F LIG 1 -2.023 4.621 2.096 0.00 0.00 -0.205 F ATOM 19 C LIG 1 -2.630 3.253 0.275 0.00 0.00 +0.039 A ATOM 20 C LIG 1 -2.821 1.975 -0.254 0.00 0.00 +0.011 A ENDBRANCH 11 14 ENDBRANCH 1 12 BRANCH 3 21 ATOM 21 C LIG 1 2.651 1.020 -0.350 0.00 0.00 +0.077 A ATOM 22 C LIG 1 4.034 0.770 -0.211 0.00 0.00 +0.063 A ATOM 23 C LIG 1 4.947 1.819 -0.451 0.00 0.00 +0.015 A ATOM 24 C LIG 1 4.514 3.098 -0.794 0.00 0.00 +0.001 A ATOM 25 C LIG 1 3.155 3.350 -0.913 0.00 0.00 +0.002 A ATOM 26 C LIG 1 2.232 2.324 -0.699 0.00 0.00 +0.028 A BRANCH 22 27 ATOM 27 C LIG 1 4.708 -0.525 0.094 0.00 0.00 +0.259 C ATOM 28 N LIG 1 4.334 -1.132 1.318 0.00 0.00 -0.219 N ATOM 29 H LIG 1 3.329 -1.052 1.525 0.00 0.00 +0.167 HD ATOM 30 O LIG 1 5.617 -0.916 -0.626 0.00 0.00 -0.269 OA BRANCH 28 31 ATOM 31 C LIG 1 4.936 -2.306 1.515 0.00 0.00 +0.173 C ATOM 32 N LIG 1 5.409 -3.338 1.744 0.00 0.00 -0.174 NA ENDBRANCH 28 31 ENDBRANCH 22 27 ENDBRANCH 3 21 TORSDOF 5