REMARK Name = BDB018225 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.899 -1.284 0.709 0.00 0.00 -0.264 N ATOM 2 N LIG 1 0.609 -2.349 -0.070 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 -0.672 -2.164 -0.398 0.00 0.00 +0.143 A ATOM 4 C LIG 1 -1.217 -0.991 0.168 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.173 -0.445 0.883 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.545 -0.463 0.045 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -2.804 0.861 0.092 0.00 0.00 +0.097 A ATOM 8 N LIG 1 -4.085 1.385 -0.031 0.00 0.00 -0.315 N ATOM 9 C LIG 1 -4.250 2.829 0.021 0.00 0.00 +0.152 C ATOM 10 C LIG 1 -5.210 0.576 -0.219 0.00 0.00 +0.286 A ATOM 11 O LIG 1 -6.357 0.995 -0.341 0.00 0.00 -0.265 OA ATOM 12 C LIG 1 -4.922 -0.884 -0.264 0.00 0.00 +0.188 A ATOM 13 F LIG 1 -5.975 -1.708 -0.429 0.00 0.00 -0.200 F ATOM 14 C LIG 1 -3.679 -1.357 -0.140 0.00 0.00 +0.054 A ENDBRANCH 4 6 BRANCH 1 16 ATOM 15 C LIG 1 3.006 -2.415 1.485 0.00 0.00 +0.038 C ATOM 16 C LIG 1 2.234 -1.105 1.294 0.00 0.00 +0.134 C BRANCH 16 17 ATOM 17 C LIG 1 3.038 -0.088 0.498 0.00 0.00 -0.023 A ATOM 18 C LIG 1 3.316 -0.281 -0.865 0.00 0.00 +0.006 A ATOM 19 C LIG 1 4.061 0.658 -1.581 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.540 1.800 -0.944 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.277 2.004 0.409 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.532 1.067 1.127 0.00 0.00 +0.006 A ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 3