REMARK Name = BDB013043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.127 -0.001 -0.501 0.00 0.00 +0.045 A ATOM 2 C LIG 1 0.560 -1.095 -1.097 0.00 0.00 +0.173 A ATOM 3 N LIG 1 1.901 -1.221 -0.823 0.00 0.00 -0.253 N ATOM 4 C LIG 1 2.316 -2.313 -1.529 0.00 0.00 +0.232 A ATOM 5 N LIG 1 1.299 -2.846 -2.167 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 2.603 -0.349 0.019 0.00 0.00 +0.203 A ATOM 7 N LIG 1 1.965 0.648 0.571 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.190 -2.075 -1.897 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 0.618 0.791 0.302 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -4.320 0.798 -1.021 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -3.873 -0.510 -0.819 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -2.509 -0.761 -0.642 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -1.573 0.286 -0.677 0.00 0.00 -0.013 A ATOM 14 C LIG 1 -2.035 1.590 -0.925 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -3.399 1.845 -1.097 0.00 0.00 +0.013 A BRANCH 10 17 ATOM 16 O LIG 1 -6.064 1.759 -2.219 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -5.756 1.095 -1.232 0.00 0.00 +0.247 C ATOM 18 N LIG 1 -6.686 0.620 -0.313 0.00 0.00 -0.295 N ATOM 19 C LIG 1 -8.105 0.859 -0.585 0.00 0.00 +0.123 C ATOM 20 C LIG 1 -9.006 -0.100 0.210 0.00 0.00 +0.100 C ATOM 21 N LIG 1 -8.814 -0.062 1.672 0.00 0.00 -0.313 NA ATOM 22 H LIG 1 -8.951 -1.002 2.042 0.00 0.00 +0.122 HD ATOM 23 C LIG 1 -7.482 0.437 2.048 0.00 0.00 +0.100 C ATOM 24 C LIG 1 -6.363 0.136 1.034 0.00 0.00 +0.123 C ENDBRANCH 10 17 ENDBRANCH 1 13 BRANCH 6 25 ATOM 25 N LIG 1 3.946 -0.566 0.240 0.00 0.00 -0.310 N ATOM 26 H LIG 1 4.324 -1.492 0.080 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 4.680 0.195 1.233 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 C LIG 1 6.131 -0.205 1.184 0.00 0.00 -0.024 A ATOM 29 C LIG 1 6.975 0.219 0.162 0.00 0.00 +0.002 A ATOM 30 C LIG 1 6.689 1.054 -1.030 0.00 0.00 +0.080 C ATOM 31 C LIG 1 8.121 1.326 -1.490 0.00 0.00 +0.234 C ATOM 32 O LIG 1 8.987 0.289 -0.975 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 8.297 -0.200 0.104 0.00 0.00 +0.124 A ATOM 34 C LIG 1 8.838 -1.053 1.043 0.00 0.00 +0.046 A ATOM 35 C LIG 1 8.015 -1.486 2.082 0.00 0.00 +0.004 A ATOM 36 C LIG 1 6.674 -1.069 2.151 0.00 0.00 +0.005 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 5