REMARK Name = BDB024765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.591 -3.927 0.294 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.433 -2.567 0.620 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.553 -1.829 1.257 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.800 -2.339 2.686 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.364 -0.306 1.349 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.706 0.232 0.101 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.372 -0.440 -0.032 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.233 0.267 -0.474 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -2.100 1.602 -0.775 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.855 1.768 -1.178 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.172 0.567 -1.155 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.031 -0.398 -0.672 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.880 -1.759 -0.407 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.013 -2.452 0.043 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.259 -1.830 0.219 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -3.727 -4.676 -0.153 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.109 -5.716 0.105 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.877 -4.362 0.493 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.163 0.311 -1.667 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 2.301 0.537 -0.661 0.00 0.00 +0.102 C BRANCH 20 21 ATOM 21 N LIG 1 2.201 -0.372 0.484 0.00 0.00 -0.312 NA ATOM 22 H LIG 1 1.569 0.034 1.183 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 3.466 -0.769 1.118 0.00 0.00 +0.054 C ATOM 24 C LIG 1 4.403 0.387 1.544 0.00 0.00 +0.019 C ATOM 25 C LIG 1 5.660 0.493 0.681 0.00 0.00 +0.007 C ATOM 26 C LIG 1 6.456 -0.826 0.604 0.00 0.00 +0.015 C ATOM 27 C LIG 1 5.580 -2.085 0.765 0.00 0.00 +0.007 C ATOM 28 C LIG 1 4.164 -1.842 0.262 0.00 0.00 +0.019 C BRANCH 26 29 ATOM 29 C LIG 1 7.617 -0.850 1.601 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 O LIG 1 8.367 -2.041 1.406 0.00 0.00 -0.395 OA ATOM 31 H LIG 1 9.051 -2.068 2.082 0.00 0.00 +0.209 HD ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 -0.260 3.076 -1.594 0.00 0.00 +0.097 C BRANCH 32 33 ATOM 33 C LIG 1 -1.343 4.099 -1.924 0.00 0.00 +0.151 C BRANCH 33 34 ATOM 34 N LIG 1 -0.791 5.399 -2.256 0.00 0.00 -0.271 N ATOM 35 N LIG 1 -0.011 5.544 -3.348 0.00 0.00 -0.180 NA ATOM 36 C LIG 1 0.254 6.853 -3.373 0.00 0.00 +0.134 A ATOM 37 C LIG 1 -0.349 7.544 -2.308 0.00 0.00 +0.041 A ATOM 38 C LIG 1 -1.006 6.570 -1.590 0.00 0.00 +0.108 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 10