REMARK Name = BDB062450 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.273 -1.192 1.653 0.00 0.00 -0.236 N ATOM 2 C LIG 1 2.424 -0.863 2.358 0.00 0.00 +0.063 A ATOM 3 C LIG 1 2.274 -1.349 3.648 0.00 0.00 +0.100 A ATOM 4 C LIG 1 0.957 -1.846 3.659 0.00 0.00 +0.150 A ATOM 5 N LIG 1 0.323 -1.677 2.503 0.00 0.00 -0.174 NA ENDROOT BRANCH 1 8 ATOM 6 C LIG 1 -0.709 -1.041 -1.520 0.00 0.00 -0.016 A ATOM 7 C LIG 1 -0.361 -1.156 -0.162 0.00 0.00 +0.036 A ATOM 8 C LIG 1 0.980 -1.085 0.264 0.00 0.00 +0.066 A ATOM 9 C LIG 1 1.987 -0.945 -0.692 0.00 0.00 +0.028 A ATOM 10 C LIG 1 1.660 -0.826 -2.043 0.00 0.00 +0.003 A ATOM 11 C LIG 1 0.326 -0.867 -2.452 0.00 0.00 +0.008 A BRANCH 6 14 ATOM 12 C LIG 1 -4.427 -0.346 -1.758 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -3.089 -0.281 -1.351 0.00 0.00 +0.021 A ATOM 14 C LIG 1 -2.116 -1.097 -1.951 0.00 0.00 -0.017 A ATOM 15 C LIG 1 -2.527 -1.964 -2.980 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -3.858 -2.011 -3.405 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -4.811 -1.196 -2.800 0.00 0.00 +0.013 A BRANCH 12 20 ATOM 18 C LIG 1 -7.603 0.912 -0.098 0.00 0.00 +0.132 C ATOM 19 N LIG 1 -6.587 0.002 -0.596 0.00 0.00 -0.304 N ATOM 20 C LIG 1 -5.414 0.549 -1.114 0.00 0.00 +0.246 C ATOM 21 O LIG 1 -5.155 1.750 -1.083 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 -6.752 -1.400 -0.233 0.00 0.00 +0.132 C ENDBRANCH 12 20 ENDBRANCH 6 14 ENDBRANCH 1 8 BRANCH 2 23 ATOM 23 C LIG 1 3.672 -0.056 1.865 0.00 0.00 +0.048 C ATOM 24 C LIG 1 3.489 1.317 1.252 0.00 0.00 +0.051 C ATOM 25 C LIG 1 4.066 1.185 2.630 0.00 0.00 +0.020 C BRANCH 24 26 ATOM 26 C LIG 1 4.419 1.756 0.100 0.00 0.00 +0.087 A ATOM 27 N LIG 1 4.932 0.915 -0.844 0.00 0.00 -0.134 NA ATOM 28 N LIG 1 5.671 1.642 -1.674 0.00 0.00 -0.066 NA ATOM 29 N LIG 1 5.615 2.916 -1.248 0.00 0.00 -0.254 N ATOM 30 C LIG 1 6.328 3.944 -1.957 0.00 0.00 +0.174 C ATOM 31 C LIG 1 4.838 3.042 -0.137 0.00 0.00 +0.133 A ENDBRANCH 24 26 ENDBRANCH 2 23 BRANCH 3 32 ATOM 32 C LIG 1 3.254 -1.334 4.718 0.00 0.00 +0.340 C ATOM 33 O LIG 1 4.463 -1.310 4.538 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 2.731 -1.343 5.972 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 1.764 -1.235 5.999 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 3 32 TORSDOF 7