REMARK Name = BDB034150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.202 -1.342 -0.265 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 -1.463 -2.079 -0.496 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -2.715 -1.210 -0.762 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -2.935 -0.239 0.323 0.00 0.00 -0.327 N ATOM 5 C LIG 1 -1.769 0.070 1.167 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -0.468 -0.011 0.334 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.215 0.176 0.662 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -5.256 0.172 -0.291 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -6.527 0.600 0.065 0.00 0.00 -0.016 A ATOM 10 C LIG 1 -7.768 0.691 -0.758 0.00 0.00 +0.140 C ATOM 11 N LIG 1 -8.730 1.205 0.187 0.00 0.00 -0.307 N ATOM 12 H LIG 1 -9.702 1.407 -0.009 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -8.194 1.425 1.437 0.00 0.00 +0.245 C ATOM 14 O LIG 1 -8.769 1.854 2.416 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 -6.782 1.038 1.359 0.00 0.00 +0.041 A ATOM 16 C LIG 1 -5.809 1.069 2.330 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -4.526 0.637 1.968 0.00 0.00 +0.024 A ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 0.592 -1.229 -1.498 0.00 0.00 +0.121 C BRANCH 18 28 ATOM 19 C LIG 1 6.722 0.286 0.106 0.00 0.00 +0.019 A ATOM 20 C LIG 1 6.306 -0.907 0.916 0.00 0.00 +0.252 A ATOM 21 O LIG 1 7.060 -1.437 1.725 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 5.036 -1.385 0.714 0.00 0.00 -0.321 N ATOM 23 H LIG 1 4.770 -2.189 1.266 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 4.134 -0.808 -0.185 0.00 0.00 +0.068 A ATOM 25 C LIG 1 4.511 0.308 -0.929 0.00 0.00 +0.088 A ATOM 26 N LIG 1 3.704 0.928 -1.816 0.00 0.00 -0.253 NA ATOM 27 C LIG 1 2.463 0.406 -1.961 0.00 0.00 +0.116 A ATOM 28 C LIG 1 1.986 -0.703 -1.262 0.00 0.00 -0.013 A ATOM 29 C LIG 1 2.856 -1.324 -0.356 0.00 0.00 +0.034 A ATOM 30 C LIG 1 5.853 0.852 -0.751 0.00 0.00 +0.038 A BRANCH 19 32 ATOM 31 C LIG 1 9.171 -0.012 -0.375 0.00 0.00 +0.009 C ATOM 32 C LIG 1 8.109 0.821 0.332 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 4