REMARK Name = BDB015200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.658 -1.011 -0.760 0.00 0.00 -0.341 N ATOM 2 H LIG 1 0.076 -1.827 -0.575 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.007 -1.328 -0.534 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.991 -0.383 -0.212 0.00 0.00 +0.031 A ATOM 5 C LIG 1 4.352 -0.730 -0.057 0.00 0.00 -0.014 A ATOM 6 C LIG 1 4.713 -2.067 -0.273 0.00 0.00 +0.009 A ATOM 7 C LIG 1 3.760 -3.016 -0.638 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.424 -2.643 -0.778 0.00 0.00 +0.023 A BRANCH 5 9 ATOM 9 C LIG 1 5.351 0.284 0.324 0.00 0.00 +0.010 A ATOM 10 C LIG 1 6.589 0.379 -0.357 0.00 0.00 +0.096 A ATOM 11 C LIG 1 7.509 1.357 0.023 0.00 0.00 +0.067 A ATOM 12 N LIG 1 8.572 1.180 -0.827 0.00 0.00 -0.344 N ATOM 13 H LIG 1 9.422 1.725 -0.834 0.00 0.00 +0.167 HD ATOM 14 C LIG 1 8.280 0.143 -1.663 0.00 0.00 +0.197 A ATOM 15 C LIG 1 7.290 2.267 1.058 0.00 0.00 +0.028 A ATOM 16 C LIG 1 6.073 2.166 1.732 0.00 0.00 +0.003 A ATOM 17 N LIG 1 7.098 -0.363 -1.407 0.00 0.00 -0.235 NA ATOM 18 C LIG 1 5.126 1.201 1.376 0.00 0.00 +0.011 A ENDBRANCH 5 9 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 0.113 0.239 -0.210 0.00 0.00 +0.134 C BRANCH 19 20 ATOM 20 C LIG 1 -1.379 0.392 -0.588 0.00 0.00 +0.145 C BRANCH 20 21 ATOM 21 O LIG 1 -1.529 0.169 -1.996 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 -0.819 -0.456 -2.245 0.00 0.00 +0.210 HD ENDBRANCH 20 21 BRANCH 20 23 ATOM 23 C LIG 1 -2.282 -0.566 0.232 0.00 0.00 +0.117 C BRANCH 23 24 ATOM 24 N LIG 1 -3.729 -0.515 -0.064 0.00 0.00 -0.295 NA ATOM 25 C LIG 1 -4.289 0.839 0.098 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -5.803 0.905 0.050 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -6.588 -0.250 0.202 0.00 0.00 -0.042 A ATOM 28 C LIG 1 -7.986 -0.153 0.174 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -8.603 1.088 0.023 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.829 2.239 -0.109 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.922 -1.594 0.327 0.00 0.00 +0.051 C ATOM 32 C LIG 1 -6.437 2.149 -0.094 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.461 -1.475 0.776 0.00 0.00 +0.089 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7