REMARK Name = BDB033965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.253 2.357 0.634 0.00 0.00 +0.165 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.236 4.432 1.584 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -0.145 3.733 1.129 0.00 0.00 -0.304 N ATOM 4 H LIG 1 0.796 4.097 1.260 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -2.376 3.984 1.532 0.00 0.00 -0.276 OA BRANCH 2 7 ATOM 6 C LIG 1 -2.098 6.556 2.628 0.00 0.00 +0.013 C ATOM 7 C LIG 1 -0.880 5.798 2.133 0.00 0.00 +0.092 C ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 8 ATOM 8 C LIG 1 1.177 1.779 0.654 0.00 0.00 +0.234 C ATOM 9 N LIG 1 1.268 0.409 0.570 0.00 0.00 -0.309 N ATOM 10 H LIG 1 0.451 -0.090 0.213 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 2.165 2.512 0.740 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 2.559 -0.266 0.378 0.00 0.00 +0.091 C BRANCH 12 13 ATOM 13 C LIG 1 2.496 -1.686 0.972 0.00 0.00 +0.058 C BRANCH 13 14 ATOM 14 C LIG 1 3.836 -2.377 1.041 0.00 0.00 -0.046 A ATOM 15 C LIG 1 4.188 -3.341 0.087 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.432 -3.971 0.143 0.00 0.00 +0.000 A ATOM 17 C LIG 1 6.335 -3.644 1.152 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.996 -2.686 2.105 0.00 0.00 +0.000 A ATOM 19 C LIG 1 4.753 -2.054 2.051 0.00 0.00 +0.004 A ENDBRANCH 13 14 ENDBRANCH 12 13 BRANCH 12 20 ATOM 20 C LIG 1 2.947 -0.241 -1.124 0.00 0.00 +0.100 C BRANCH 20 21 ATOM 21 N LIG 1 1.990 -0.950 -1.983 0.00 0.00 -0.328 NA ATOM 22 H LIG 1 2.218 -0.765 -2.959 0.00 0.00 +0.118 HD ATOM 23 H LIG 1 1.052 -0.562 -1.839 0.00 0.00 +0.118 HD ENDBRANCH 20 21 ENDBRANCH 12 20 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -0.839 2.317 -0.784 0.00 0.00 +0.094 C BRANCH 24 25 ATOM 25 C LIG 1 -1.527 1.013 -1.056 0.00 0.00 +0.081 A ATOM 26 S LIG 1 -3.196 0.967 -1.429 0.00 0.00 -0.070 S ATOM 27 C LIG 1 -3.134 -0.748 -1.565 0.00 0.00 +0.060 A ATOM 28 C LIG 1 -1.829 -1.169 -1.325 0.00 0.00 +0.055 A ATOM 29 C LIG 1 -1.323 -2.571 -1.345 0.00 0.00 +0.067 C ATOM 30 N LIG 1 -0.922 -0.155 -1.028 0.00 0.00 -0.248 NA BRANCH 27 31 ATOM 31 C LIG 1 -4.328 -1.526 -1.917 0.00 0.00 +0.079 A ATOM 32 N LIG 1 -4.071 -2.665 -2.607 0.00 0.00 -0.254 NA ATOM 33 C LIG 1 -5.125 -3.431 -2.965 0.00 0.00 +0.111 A ATOM 34 C LIG 1 -6.439 -3.122 -2.664 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -6.690 -1.958 -1.950 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -5.622 -1.147 -1.569 0.00 0.00 +0.029 A ENDBRANCH 27 31 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 11