REMARK Name = BDB053740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.334 1.118 -0.341 0.00 0.00 +0.100 A ATOM 2 N LIG 1 -0.587 2.206 0.494 0.00 0.00 -0.301 N ATOM 3 C LIG 1 0.394 2.240 1.481 0.00 0.00 +0.074 A ATOM 4 C LIG 1 1.298 1.213 1.205 0.00 0.00 +0.102 A ATOM 5 N LIG 1 2.399 0.995 1.971 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 2.578 1.828 3.011 0.00 0.00 +0.111 A ATOM 7 C LIG 1 1.751 2.884 3.337 0.00 0.00 +0.022 A ATOM 8 C LIG 1 0.629 3.120 2.553 0.00 0.00 +0.030 A ATOM 9 C LIG 1 0.878 0.534 0.025 0.00 0.00 +0.095 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 1.526 -0.568 -0.684 0.00 0.00 +0.251 C ATOM 11 N LIG 1 2.197 -1.506 0.107 0.00 0.00 -0.295 N ATOM 12 C LIG 1 3.600 -1.188 0.407 0.00 0.00 +0.123 C ATOM 13 C LIG 1 4.607 -2.133 -0.292 0.00 0.00 +0.100 C ATOM 14 N LIG 1 4.154 -2.581 -1.618 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 3.933 -1.740 -2.161 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 2.880 -3.322 -1.485 0.00 0.00 +0.100 C ATOM 17 C LIG 1 2.006 -2.901 -0.282 0.00 0.00 +0.123 C ATOM 18 O LIG 1 1.440 -0.703 -1.903 0.00 0.00 -0.270 OA ENDBRANCH 9 10 BRANCH 2 19 ATOM 19 C LIG 1 -1.658 3.147 0.398 0.00 0.00 +0.048 A ATOM 20 C LIG 1 -1.951 3.759 -0.828 0.00 0.00 +0.026 A ATOM 21 C LIG 1 -2.991 4.686 -0.912 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.739 5.004 0.221 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.449 4.399 1.443 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -2.408 3.473 1.536 0.00 0.00 +0.026 A ENDBRANCH 2 19 BRANCH 1 25 ATOM 25 S LIG 1 -1.526 0.621 -1.540 0.00 0.00 -0.070 S BRANCH 25 28 ATOM 26 C LIG 1 -1.250 -1.740 -3.550 0.00 0.00 +0.045 C ATOM 27 C LIG 1 -1.608 -2.093 -2.127 0.00 0.00 -0.036 A ATOM 28 C LIG 1 -1.793 -1.113 -1.116 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -2.254 -1.522 0.160 0.00 0.00 -0.036 A ATOM 30 C LIG 1 -2.589 -0.565 1.274 0.00 0.00 +0.045 C ATOM 31 C LIG 1 -2.414 -2.894 0.431 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -2.188 -3.851 -0.551 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -1.805 -3.452 -1.825 0.00 0.00 +0.004 A ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 4