REMARK Name = BDB015112 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.406 0.059 0.888 0.00 0.00 +0.166 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.472 -1.028 0.558 0.00 0.00 -0.387 OA ATOM 3 H LIG 1 -0.096 -1.666 0.079 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -1.484 0.180 -0.211 0.00 0.00 +0.119 C BRANCH 4 10 ATOM 5 C LIG 1 -6.913 0.610 0.442 0.00 0.00 +0.162 A ATOM 6 C LIG 1 -6.483 0.002 1.638 0.00 0.00 +0.162 A ATOM 7 C LIG 1 -5.250 -0.661 1.672 0.00 0.00 +0.054 A ATOM 8 C LIG 1 -4.432 -0.720 0.532 0.00 0.00 -0.026 A ATOM 9 C LIG 1 -3.125 -1.484 0.587 0.00 0.00 +0.120 C ATOM 10 N LIG 1 -2.147 -1.125 -0.460 0.00 0.00 -0.295 NA ATOM 11 C LIG 1 -2.829 -1.147 -1.768 0.00 0.00 +0.089 C ATOM 12 C LIG 1 -3.995 -0.154 -1.890 0.00 0.00 +0.051 C ATOM 13 C LIG 1 -4.872 -0.128 -0.662 0.00 0.00 -0.038 A ATOM 14 C LIG 1 -6.103 0.543 -0.697 0.00 0.00 +0.053 A BRANCH 5 16 ATOM 15 C LIG 1 -8.627 1.816 -0.708 0.00 0.00 +0.277 C ATOM 16 O LIG 1 -8.130 1.245 0.493 0.00 0.00 -0.491 OA ENDBRANCH 5 16 BRANCH 6 17 ATOM 17 O LIG 1 -7.336 0.109 2.709 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -6.933 -0.477 3.938 0.00 0.00 +0.277 C ENDBRANCH 6 17 ENDBRANCH 4 10 ENDBRANCH 1 4 BRANCH 1 19 ATOM 19 C LIG 1 0.384 1.362 1.099 0.00 0.00 +0.261 C BRANCH 19 20 ATOM 20 O LIG 1 0.723 2.020 -0.125 0.00 0.00 -0.489 OA BRANCH 20 21 ATOM 21 C LIG 1 1.952 1.810 -0.681 0.00 0.00 +0.121 A ATOM 22 C LIG 1 2.885 0.848 -0.293 0.00 0.00 +0.054 A ATOM 23 C LIG 1 4.122 0.718 -0.957 0.00 0.00 -0.014 A ATOM 24 C LIG 1 4.397 1.586 -2.026 0.00 0.00 +0.009 A ATOM 25 C LIG 1 3.468 2.547 -2.423 0.00 0.00 +0.004 A ATOM 26 C LIG 1 2.252 2.654 -1.752 0.00 0.00 +0.045 A BRANCH 23 27 ATOM 27 C LIG 1 5.097 -0.308 -0.544 0.00 0.00 -0.016 A ATOM 28 C LIG 1 6.426 0.052 -0.242 0.00 0.00 +0.036 A ATOM 29 C LIG 1 7.313 -0.961 0.148 0.00 0.00 +0.069 A ATOM 30 C LIG 1 6.935 -2.297 0.245 0.00 0.00 +0.089 A ATOM 31 N LIG 1 7.991 -3.080 0.644 0.00 0.00 -0.236 NA ATOM 32 C LIG 1 8.998 -2.250 0.794 0.00 0.00 +0.200 A ATOM 33 C LIG 1 5.616 -2.659 -0.054 0.00 0.00 +0.030 A ATOM 34 N LIG 1 8.637 -0.964 0.510 0.00 0.00 -0.333 N ATOM 35 C LIG 1 9.500 0.186 0.583 0.00 0.00 +0.150 C ATOM 36 C LIG 1 4.713 -1.659 -0.444 0.00 0.00 +0.011 A ENDBRANCH 23 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 9