REMARK Name = BDB063406 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.920 0.757 -1.912 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.858 0.581 -0.527 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.370 0.508 0.144 0.00 0.00 +0.015 A ATOM 4 C LIG 1 1.570 0.606 -0.566 0.00 0.00 +0.037 A ATOM 5 C LIG 1 1.530 0.806 -1.948 0.00 0.00 +0.015 A ATOM 6 C LIG 1 0.296 0.878 -2.607 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.850 0.523 0.191 0.00 0.00 +0.250 C ATOM 8 N LIG 1 3.925 0.008 -0.502 0.00 0.00 -0.252 N ATOM 9 H LIG 1 3.837 -0.359 -1.439 0.00 0.00 +0.158 HD ATOM 10 O LIG 1 2.886 0.882 1.366 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 5.167 -0.119 0.063 0.00 0.00 +0.201 A ATOM 12 N LIG 1 5.473 0.276 1.339 0.00 0.00 -0.326 N ATOM 13 H LIG 1 4.803 0.688 1.978 0.00 0.00 +0.169 HD ATOM 14 C LIG 1 6.796 0.006 1.571 0.00 0.00 +0.068 A ATOM 15 C LIG 1 7.247 -0.561 0.381 0.00 0.00 +0.103 A ATOM 16 C LIG 1 8.597 -0.960 0.288 0.00 0.00 +0.064 A ATOM 17 C LIG 1 9.431 -0.768 1.405 0.00 0.00 +0.015 A ATOM 18 C LIG 1 8.942 -0.196 2.582 0.00 0.00 +0.003 A ATOM 19 C LIG 1 7.607 0.205 2.691 0.00 0.00 +0.028 A ATOM 20 N LIG 1 6.214 -0.628 -0.543 0.00 0.00 -0.214 NA BRANCH 16 21 ATOM 21 C LIG 1 9.159 -1.572 -0.939 0.00 0.00 +0.244 C ATOM 22 O LIG 1 10.334 -1.913 -1.007 0.00 0.00 -0.270 OA ATOM 23 N LIG 1 8.318 -1.744 -2.000 0.00 0.00 -0.325 N ATOM 24 H LIG 1 7.341 -1.467 -1.946 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 8.676 -2.163 -2.845 0.00 0.00 +0.145 HD ENDBRANCH 16 21 ENDBRANCH 8 11 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 N LIG 1 -2.112 0.854 -2.633 0.00 0.00 -0.284 N ATOM 27 H LIG 1 -2.044 0.891 -3.640 0.00 0.00 +0.155 HD BRANCH 26 30 ATOM 28 C LIG 1 -5.193 0.800 -0.748 0.00 0.00 +0.130 A ATOM 29 N LIG 1 -3.870 0.809 -1.012 0.00 0.00 -0.199 NA ATOM 30 C LIG 1 -3.462 0.845 -2.288 0.00 0.00 +0.221 A ATOM 31 N LIG 1 -4.302 0.885 -3.332 0.00 0.00 -0.223 NA ATOM 32 C LIG 1 -5.615 0.894 -3.054 0.00 0.00 +0.118 A ATOM 33 C LIG 1 -6.115 0.854 -1.778 0.00 0.00 +0.064 A BRANCH 28 35 ATOM 34 C LIG 1 -4.576 0.841 1.583 0.00 0.00 +0.137 C ATOM 35 N LIG 1 -5.662 0.784 0.596 0.00 0.00 -0.288 N BRANCH 35 36 ATOM 36 C LIG 1 -6.763 0.023 1.066 0.00 0.00 +0.035 A ATOM 37 C LIG 1 -7.059 -1.250 0.553 0.00 0.00 +0.025 A ATOM 38 C LIG 1 -8.151 -1.980 1.033 0.00 0.00 +0.022 A ATOM 39 C LIG 1 -8.959 -1.442 2.031 0.00 0.00 +0.041 A ATOM 40 CL LIG 1 -10.303 -2.339 2.621 0.00 0.00 -0.084 Cl ATOM 41 C LIG 1 -8.683 -0.183 2.556 0.00 0.00 +0.022 A ATOM 42 C LIG 1 -7.590 0.544 2.075 0.00 0.00 +0.025 A ENDBRANCH 35 36 ENDBRANCH 28 35 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 7