REMARK Name = BDB015229 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.164 1.467 2.221 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -0.099 1.331 1.316 0.00 0.00 +0.054 A ATOM 3 C LIG 1 1.162 0.919 1.751 0.00 0.00 +0.121 A ATOM 4 C LIG 1 1.375 0.593 3.088 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.329 0.716 4.001 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.927 1.154 3.571 0.00 0.00 +0.009 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 -6.164 1.171 1.652 0.00 0.00 -0.321 N ATOM 8 C LIG 1 -4.877 1.652 1.589 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -5.007 2.871 0.928 0.00 0.00 +0.089 A ATOM 10 C LIG 1 -3.865 3.639 0.670 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -2.618 3.159 1.095 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -2.487 1.934 1.773 0.00 0.00 -0.016 A ATOM 13 N LIG 1 -6.319 3.130 0.624 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 -3.638 1.161 2.027 0.00 0.00 +0.036 A ATOM 15 C LIG 1 -6.992 2.103 1.087 0.00 0.00 +0.200 A BRANCH 7 16 ATOM 16 C LIG 1 -6.598 -0.081 2.235 0.00 0.00 +0.219 C BRANCH 16 18 ATOM 17 O LIG 1 -8.686 -0.971 1.520 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 -7.475 -0.887 1.296 0.00 0.00 +0.236 C ATOM 19 N LIG 1 -6.892 -1.515 0.208 0.00 0.00 -0.296 N ATOM 20 C LIG 1 -7.750 -2.221 -0.750 0.00 0.00 +0.136 C ATOM 21 C LIG 1 -7.173 -2.141 -2.166 0.00 0.00 +0.179 C ATOM 22 O LIG 1 -5.853 -2.690 -2.280 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 -5.085 -2.626 -1.072 0.00 0.00 +0.179 C ATOM 24 C LIG 1 -5.470 -1.460 -0.156 0.00 0.00 +0.136 C ENDBRANCH 16 18 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 O LIG 1 2.136 0.801 0.798 0.00 0.00 -0.489 OA BRANCH 25 26 ATOM 26 C LIG 1 3.312 1.558 1.117 0.00 0.00 +0.261 C BRANCH 26 27 ATOM 27 C LIG 1 4.181 1.749 -0.136 0.00 0.00 +0.166 C BRANCH 27 28 ATOM 28 O LIG 1 3.521 2.620 -1.064 0.00 0.00 -0.387 OA ATOM 29 H LIG 1 3.888 2.381 -1.939 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 4.513 0.414 -0.837 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 5.238 0.611 -2.118 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 5.375 -0.673 -2.839 0.00 0.00 +0.120 C ATOM 33 C LIG 1 6.437 -1.602 -2.284 0.00 0.00 -0.030 A ATOM 34 C LIG 1 7.515 -1.099 -1.532 0.00 0.00 -0.042 A ATOM 35 C LIG 1 8.505 -1.974 -1.063 0.00 0.00 +0.004 A ATOM 36 C LIG 1 8.437 -3.335 -1.354 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.379 -3.834 -2.111 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.574 0.365 -1.173 0.00 0.00 +0.051 C ATOM 39 C LIG 1 6.387 -2.972 -2.578 0.00 0.00 +0.005 A ATOM 40 C LIG 1 6.577 1.212 -1.976 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 9