REMARK Name = BDB026924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.027 -1.143 0.119 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.849 -2.641 0.331 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.666 -3.183 1.613 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.511 -4.559 1.788 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.544 -5.411 0.686 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.735 -4.890 -0.592 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.889 -3.514 -0.769 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.133 -0.350 0.792 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.012 0.092 1.940 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 5.024 1.705 0.624 0.00 0.00 +0.128 A ATOM 11 N LIG 1 4.746 1.001 -0.515 0.00 0.00 -0.225 NA ATOM 12 C LIG 1 3.509 0.470 -0.502 0.00 0.00 +0.140 A ATOM 13 C LIG 1 2.549 0.562 0.500 0.00 0.00 +0.029 A ATOM 14 C LIG 1 1.394 -0.168 0.056 0.00 0.00 +0.046 A ATOM 15 C LIG 1 1.710 -0.669 -1.199 0.00 0.00 +0.096 A ATOM 16 C LIG 1 2.893 1.298 1.649 0.00 0.00 +0.014 A ATOM 17 N LIG 1 2.986 -0.277 -1.518 0.00 0.00 -0.345 N ATOM 18 H LIG 1 3.486 -0.495 -2.368 0.00 0.00 +0.167 HD ATOM 19 C LIG 1 4.162 1.877 1.702 0.00 0.00 +0.034 A BRANCH 10 23 ATOM 20 C LIG 1 8.531 2.535 -0.532 0.00 0.00 +0.128 C ATOM 21 N LIG 1 7.156 2.127 -0.452 0.00 0.00 -0.313 N ATOM 22 H LIG 1 6.758 1.510 -1.154 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 6.392 2.326 0.681 0.00 0.00 +0.262 C ATOM 24 O LIG 1 6.779 2.943 1.666 0.00 0.00 -0.269 OA ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.316 -0.631 0.643 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.318 -0.730 1.659 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.496 -1.259 0.049 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.789 -0.540 0.468 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.991 0.789 -0.226 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.387 1.951 0.273 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.561 3.176 -0.374 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.342 3.253 -1.530 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.947 2.098 -2.036 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.770 0.872 -1.388 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.521 4.509 -2.198 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -5.667 5.523 -2.743 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9