REMARK Name = BDB064146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.830 1.844 -1.281 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -2.199 2.370 -1.127 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -2.929 1.754 -0.088 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -2.581 1.817 1.089 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -2.058 3.818 -0.914 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -0.563 4.106 -0.707 0.00 0.00 +0.134 C ATOM 7 C LIG 1 0.030 2.741 -0.392 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 0.731 -0.050 -1.077 0.00 0.00 -0.310 N ATOM 9 H LIG 1 1.405 0.582 -1.496 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -0.595 0.322 -1.105 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -1.502 -0.511 -1.060 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 1.098 -1.446 -1.093 0.00 0.00 +0.143 C BRANCH 12 14 ATOM 13 C LIG 1 3.578 -1.401 -1.643 0.00 0.00 +0.126 A ATOM 14 C LIG 1 2.548 -1.626 -0.716 0.00 0.00 +0.015 A ATOM 15 C LIG 1 2.869 -2.004 0.602 0.00 0.00 +0.055 A ATOM 16 C LIG 1 4.198 -2.177 0.999 0.00 0.00 +0.129 A ATOM 17 C LIG 1 5.225 -1.973 0.059 0.00 0.00 +0.036 A ATOM 18 C LIG 1 4.907 -1.579 -1.252 0.00 0.00 +0.058 A BRANCH 17 19 ATOM 19 C LIG 1 6.633 -2.127 0.426 0.00 0.00 +0.045 A ATOM 20 C LIG 1 7.477 -1.267 1.119 0.00 0.00 +0.053 A ATOM 21 C LIG 1 7.122 0.061 1.686 0.00 0.00 +0.067 C ATOM 22 N LIG 1 8.774 -1.732 1.286 0.00 0.00 -0.252 NA ATOM 23 C LIG 1 8.879 -2.939 0.768 0.00 0.00 +0.156 A ATOM 24 S LIG 1 7.480 -3.559 -0.002 0.00 0.00 -0.075 S ENDBRANCH 17 19 BRANCH 13 26 ATOM 25 C LIG 1 4.152 -1.040 -3.928 0.00 0.00 +0.277 C ATOM 26 O LIG 1 3.185 -0.974 -2.885 0.00 0.00 -0.495 OA ENDBRANCH 13 26 BRANCH 16 27 ATOM 27 O LIG 1 4.588 -2.542 2.260 0.00 0.00 -0.494 OA ATOM 28 C LIG 1 3.587 -2.639 3.267 0.00 0.00 +0.277 C ENDBRANCH 16 27 ENDBRANCH 12 14 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 29 ATOM 29 O LIG 1 0.049 4.575 -1.913 0.00 0.00 -0.390 OA ATOM 30 H LIG 1 -0.493 5.307 -2.271 0.00 0.00 +0.210 HD ENDBRANCH 6 29 BRANCH 3 31 ATOM 31 C LIG 1 -4.136 0.927 -0.603 0.00 0.00 +0.164 C BRANCH 31 32 ATOM 32 C LIG 1 -5.507 1.679 -0.632 0.00 0.00 -0.011 C ATOM 33 C LIG 1 -6.684 0.692 -0.752 0.00 0.00 +0.013 C ATOM 34 C LIG 1 -5.549 2.574 -1.895 0.00 0.00 +0.013 C ATOM 35 C LIG 1 -5.741 2.605 0.573 0.00 0.00 +0.013 C ENDBRANCH 31 32 BRANCH 31 36 ATOM 36 N LIG 1 -4.054 -0.407 0.003 0.00 0.00 -0.302 N ATOM 37 H LIG 1 -3.289 -0.954 -0.390 0.00 0.00 +0.150 HD ATOM 38 C LIG 1 -4.401 -0.736 1.289 0.00 0.00 +0.234 C ATOM 39 O LIG 1 -5.067 -0.058 2.053 0.00 0.00 -0.274 OA BRANCH 38 40 ATOM 40 C LIG 1 -3.877 -2.064 1.743 0.00 0.00 +0.133 C ATOM 41 C LIG 1 -2.369 -2.272 1.825 0.00 0.00 +0.033 C ATOM 42 C LIG 1 -3.160 -2.132 3.087 0.00 0.00 +0.033 C BRANCH 40 43 ATOM 43 C LIG 1 -4.696 -3.193 1.380 0.00 0.00 +0.079 C ATOM 44 N LIG 1 -5.319 -4.128 1.089 0.00 0.00 -0.195 NA ENDBRANCH 40 43 ENDBRANCH 38 40 ENDBRANCH 31 36 ENDBRANCH 3 31 TORSDOF 12