REMARK Name = BDB014956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.107 0.615 -0.892 0.00 0.00 -0.296 N ATOM 2 H LIG 1 -0.022 1.185 -1.724 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -6.275 2.133 -3.033 0.00 0.00 +0.109 C ATOM 4 C LIG 1 -4.776 2.005 -2.953 0.00 0.00 +0.213 C ATOM 5 N LIG 1 -4.236 1.515 -1.771 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -2.764 1.496 -1.697 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -2.297 0.643 -0.571 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -0.991 0.240 -0.194 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.037 -0.521 0.904 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -2.341 -0.616 1.228 0.00 0.00 -0.261 N ATOM 11 C LIG 1 -3.136 0.081 0.369 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -4.613 0.231 0.362 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -4.982 1.461 -0.494 0.00 0.00 +0.114 C ATOM 14 O LIG 1 -4.077 2.320 -3.917 0.00 0.00 -0.276 OA BRANCH 10 15 ATOM 15 C LIG 1 -2.694 -1.400 2.396 0.00 0.00 +0.135 C ATOM 16 C LIG 1 -3.416 -0.600 3.474 0.00 0.00 +0.186 C ATOM 17 O LIG 1 -4.699 -1.222 3.664 0.00 0.00 -0.378 OA ATOM 18 C LIG 1 -4.548 -2.593 3.285 0.00 0.00 +0.162 C ATOM 19 C LIG 1 -3.606 -2.581 2.104 0.00 0.00 +0.057 C ENDBRANCH 10 15 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 1.484 0.352 -0.700 0.00 0.00 +0.068 A ATOM 21 C LIG 1 2.402 0.892 -1.617 0.00 0.00 +0.145 A ATOM 22 F LIG 1 1.940 1.631 -2.640 0.00 0.00 -0.204 F ATOM 23 C LIG 1 3.777 0.690 -1.509 0.00 0.00 +0.049 A ATOM 24 C LIG 1 4.278 -0.076 -0.457 0.00 0.00 -0.012 A ATOM 25 C LIG 1 3.383 -0.627 0.468 0.00 0.00 +0.010 A ATOM 26 C LIG 1 2.002 -0.413 0.347 0.00 0.00 +0.027 A BRANCH 24 27 ATOM 27 C LIG 1 5.703 -0.303 -0.324 0.00 0.00 +0.032 A ATOM 28 C LIG 1 6.804 0.605 -0.276 0.00 0.00 +0.173 A ATOM 29 N LIG 1 7.970 -0.066 -0.162 0.00 0.00 -0.167 NA ATOM 30 N LIG 1 7.611 -1.360 -0.128 0.00 0.00 -0.273 N ATOM 31 C LIG 1 8.630 -2.375 -0.010 0.00 0.00 +0.172 C ATOM 32 C LIG 1 6.267 -1.556 -0.217 0.00 0.00 +0.117 A BRANCH 28 33 ATOM 33 C LIG 1 6.735 2.108 -0.333 0.00 0.00 +0.437 C ATOM 34 F LIG 1 5.783 2.607 0.504 0.00 0.00 -0.164 F ATOM 35 F LIG 1 6.417 2.550 -1.582 0.00 0.00 -0.164 F ATOM 36 F LIG 1 7.901 2.720 0.008 0.00 0.00 -0.164 F ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 1 20 TORSDOF 5