REMARK Name = BDB023932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.717 1.088 -1.274 0.00 0.00 +0.006 A ATOM 2 C LIG 1 0.541 1.003 -0.644 0.00 0.00 -0.025 A ATOM 3 C LIG 1 0.782 0.180 0.594 0.00 0.00 +0.132 C ATOM 4 C LIG 1 2.213 -0.305 0.790 0.00 0.00 +0.224 C ATOM 5 N LIG 1 3.232 0.423 0.162 0.00 0.00 -0.265 N ATOM 6 C LIG 1 2.925 1.734 -0.407 0.00 0.00 +0.149 C ATOM 7 O LIG 1 2.401 -1.269 1.538 0.00 0.00 -0.275 OA ATOM 8 C LIG 1 1.608 1.769 -1.135 0.00 0.00 -0.025 A ATOM 9 C LIG 1 1.424 2.600 -2.249 0.00 0.00 +0.005 A ATOM 10 C LIG 1 0.186 2.663 -2.884 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -0.881 1.911 -2.398 0.00 0.00 +0.010 A ENDROOT BRANCH 1 17 ATOM 12 C LIG 1 -3.776 4.497 2.091 0.00 0.00 +0.109 C ATOM 13 C LIG 1 -4.848 3.453 1.899 0.00 0.00 +0.213 C ATOM 14 N LIG 1 -4.513 2.330 1.150 0.00 0.00 -0.297 N ATOM 15 C LIG 1 -3.299 2.281 0.314 0.00 0.00 +0.146 C ATOM 16 C LIG 1 -2.996 0.884 -0.091 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -1.878 0.361 -0.778 0.00 0.00 +0.098 A ATOM 18 N LIG 1 -1.999 -0.960 -0.952 0.00 0.00 -0.170 NA ATOM 19 N LIG 1 -3.167 -1.298 -0.352 0.00 0.00 -0.264 N ATOM 20 C LIG 1 -3.812 -0.204 0.151 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -5.106 -0.101 0.874 0.00 0.00 +0.074 C ATOM 22 C LIG 1 -5.586 1.365 0.840 0.00 0.00 +0.114 C ATOM 23 O LIG 1 -5.957 3.612 2.408 0.00 0.00 -0.276 OA BRANCH 19 24 ATOM 24 C LIG 1 -3.522 -2.717 -0.381 0.00 0.00 +0.112 C ATOM 25 C LIG 1 -4.118 -3.293 0.911 0.00 0.00 +0.055 C ATOM 26 C LIG 1 -5.472 -3.942 0.667 0.00 0.00 +0.162 C ATOM 27 O LIG 1 -6.293 -3.072 -0.099 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -5.834 -2.862 -1.433 0.00 0.00 +0.162 C ATOM 29 C LIG 1 -4.340 -3.077 -1.624 0.00 0.00 +0.055 C ENDBRANCH 19 24 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 4.615 0.033 0.275 0.00 0.00 +0.055 A ATOM 31 C LIG 1 5.667 0.944 0.181 0.00 0.00 +0.136 A ATOM 32 N LIG 1 6.989 0.638 0.249 0.00 0.00 -0.238 NA ATOM 33 C LIG 1 7.343 -0.652 0.420 0.00 0.00 +0.121 A ATOM 34 C LIG 1 6.360 -1.631 0.542 0.00 0.00 +0.045 A ATOM 35 C LIG 1 5.004 -1.291 0.462 0.00 0.00 +0.028 A BRANCH 33 36 ATOM 36 N LIG 1 8.705 -1.001 0.509 0.00 0.00 -0.321 N ATOM 37 C LIG 1 9.108 -2.008 -0.471 0.00 0.00 +0.130 C ATOM 38 C LIG 1 9.590 0.162 0.574 0.00 0.00 +0.130 C ENDBRANCH 33 36 ENDBRANCH 5 30 TORSDOF 4