REMARK Name = BDB015212 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.441 -0.938 -1.071 0.00 0.00 +0.024 A ATOM 2 C LIG 1 -0.719 -1.241 -1.805 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -1.970 -1.267 -1.192 0.00 0.00 +0.119 A ATOM 4 N LIG 1 -2.114 -1.016 0.123 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 -1.000 -0.729 0.834 0.00 0.00 +0.113 A ATOM 6 C LIG 1 0.272 -0.676 0.292 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 5.250 -0.545 -1.032 0.00 0.00 -0.323 N ATOM 8 C LIG 1 4.002 -0.702 -1.583 0.00 0.00 +0.145 A ATOM 9 C LIG 1 4.158 -0.816 -2.957 0.00 0.00 +0.037 A ATOM 10 C LIG 1 2.994 -0.980 -3.697 0.00 0.00 +0.124 A ATOM 11 N LIG 1 1.800 -1.023 -3.064 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 1.771 -0.900 -1.714 0.00 0.00 +0.162 A ATOM 13 C LIG 1 5.546 -0.731 -3.233 0.00 0.00 +0.031 A ATOM 14 N LIG 1 2.842 -0.746 -0.907 0.00 0.00 -0.210 NA ATOM 15 C LIG 1 6.199 -0.576 -2.028 0.00 0.00 +0.089 A BRANCH 7 16 ATOM 16 C LIG 1 5.523 -0.438 0.392 0.00 0.00 +0.219 C BRANCH 16 22 ATOM 17 C LIG 1 10.858 -0.062 3.498 0.00 0.00 +0.105 C ATOM 18 N LIG 1 10.355 0.650 2.325 0.00 0.00 -0.302 NA ATOM 19 C LIG 1 9.896 -0.272 1.271 0.00 0.00 +0.103 C ATOM 20 C LIG 1 8.375 -0.523 1.237 0.00 0.00 +0.123 C ATOM 21 N LIG 1 7.598 0.721 1.167 0.00 0.00 -0.298 N ATOM 22 C LIG 1 6.282 0.831 0.739 0.00 0.00 +0.235 C ATOM 23 O LIG 1 5.724 1.928 0.651 0.00 0.00 -0.274 OA ATOM 24 C LIG 1 8.305 1.935 1.595 0.00 0.00 +0.123 C ATOM 25 C LIG 1 9.319 1.629 2.712 0.00 0.00 +0.103 C ENDBRANCH 16 22 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 26 ATOM 26 N LIG 1 -3.078 -1.606 -1.973 0.00 0.00 -0.327 N ATOM 27 H LIG 1 -3.078 -1.054 -2.826 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.399 -1.662 -1.334 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.983 -0.258 -1.035 0.00 0.00 +0.145 C BRANCH 29 30 ATOM 30 O LIG 1 -4.574 0.166 0.272 0.00 0.00 -0.389 OA ATOM 31 H LIG 1 -3.635 -0.110 0.361 0.00 0.00 +0.210 HD ENDBRANCH 29 30 BRANCH 29 32 ATOM 32 C LIG 1 -6.532 -0.291 -1.134 0.00 0.00 +0.117 C BRANCH 32 33 ATOM 33 N LIG 1 -7.134 1.060 -1.108 0.00 0.00 -0.295 NA ATOM 34 C LIG 1 -7.441 1.505 0.268 0.00 0.00 +0.120 C ATOM 35 C LIG 1 -8.713 0.926 0.862 0.00 0.00 -0.030 A ATOM 36 C LIG 1 -9.724 0.394 0.040 0.00 0.00 -0.042 A ATOM 37 C LIG 1 -10.903 -0.097 0.615 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -11.091 -0.042 1.996 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -10.098 0.494 2.812 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -9.514 0.292 -1.448 0.00 0.00 +0.051 C ATOM 41 C LIG 1 -8.917 0.979 2.249 0.00 0.00 +0.005 A ATOM 42 C LIG 1 -8.347 1.161 -1.932 0.00 0.00 +0.089 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 3 26 TORSDOF 9