REMARK Name = BDB024854 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.464 -3.184 0.963 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.952 -2.146 0.166 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.743 -1.681 -0.993 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.723 -0.575 -0.581 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.853 -1.281 -2.165 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.901 -0.179 -1.761 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.194 -0.510 -0.477 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.990 0.164 -0.165 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.333 1.128 -0.889 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.707 1.492 -0.164 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.820 0.683 0.950 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.311 -0.104 1.014 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.798 -1.009 1.952 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.000 -1.664 1.646 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.711 -1.452 0.452 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -3.888 -3.756 1.882 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.308 -4.593 1.375 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.736 -3.538 0.600 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.919 0.665 1.900 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 3.258 0.356 1.245 0.00 0.00 +0.235 C ATOM 21 N LIG 1 3.559 -0.953 0.850 0.00 0.00 -0.300 N ATOM 22 C LIG 1 2.588 -2.042 0.906 0.00 0.00 +0.132 C ATOM 23 O LIG 1 4.061 1.279 1.073 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.746 -1.119 -0.023 0.00 0.00 +0.080 C ATOM 25 C LIG 1 5.395 -2.504 0.024 0.00 0.00 +0.050 C ATOM 26 C LIG 1 6.674 -2.516 -0.812 0.00 0.00 +0.161 C ATOM 27 O LIG 1 6.649 -1.595 -1.903 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 5.354 -1.433 -2.468 0.00 0.00 +0.161 C ATOM 29 C LIG 1 4.428 -0.734 -1.479 0.00 0.00 +0.050 C ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 1.641 2.615 -0.503 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 0.912 3.815 -1.123 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 0.089 4.554 -0.158 0.00 0.00 -0.315 N ATOM 33 C LIG 1 0.711 5.477 0.682 0.00 0.00 +0.251 A ATOM 34 O LIG 1 1.912 5.731 0.676 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -0.177 6.181 1.649 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -1.484 5.895 1.696 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -2.047 4.905 0.815 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -1.265 4.276 -0.070 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 7