REMARK Name = BDB036310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.509 1.515 -0.351 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.266 0.993 -0.772 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.958 1.628 -0.481 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.901 2.842 0.193 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -2.032 3.712 0.655 0.00 0.00 +0.036 C ATOM 6 C LIG 1 -1.304 5.029 0.955 0.00 0.00 +0.009 C ATOM 7 C LIG 1 0.122 4.652 1.372 0.00 0.00 +0.036 C ATOM 8 C LIG 1 0.323 3.384 0.603 0.00 0.00 -0.044 A ATOM 9 C LIG 1 1.520 2.735 0.348 0.00 0.00 +0.008 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 2.840 0.807 -0.612 0.00 0.00 +0.060 C BRANCH 10 21 ATOM 11 C LIG 1 1.619 -0.966 1.651 0.00 0.00 +0.046 C ATOM 12 C LIG 1 3.027 -0.441 1.690 0.00 0.00 -0.017 A ATOM 13 C LIG 1 3.851 -0.739 2.803 0.00 0.00 +0.116 A ATOM 14 N LIG 1 3.582 -1.488 3.924 0.00 0.00 -0.129 NA ATOM 15 N LIG 1 4.660 -1.490 4.695 0.00 0.00 -0.065 NA ATOM 16 N LIG 1 5.597 -0.754 4.075 0.00 0.00 -0.247 N ATOM 17 C LIG 1 6.882 -0.585 4.699 0.00 0.00 +0.175 C ATOM 18 C LIG 1 5.150 -0.253 2.882 0.00 0.00 +0.089 A ATOM 19 C LIG 1 5.724 0.546 1.897 0.00 0.00 +0.030 A ATOM 20 C LIG 1 4.916 0.852 0.799 0.00 0.00 +0.007 A ATOM 21 C LIG 1 3.584 0.389 0.673 0.00 0.00 -0.034 A ENDBRANCH 10 21 BRANCH 10 22 ATOM 22 C LIG 1 2.843 -0.361 -1.615 0.00 0.00 +0.133 C BRANCH 22 23 ATOM 23 C LIG 1 2.609 0.132 -3.014 0.00 0.00 +0.306 C ATOM 24 O LIG 1 3.214 1.027 -3.580 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 1.644 -0.550 -3.661 0.00 0.00 -0.481 OA ATOM 26 H LIG 1 1.631 -0.142 -4.552 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 10 22 ENDBRANCH 1 10 BRANCH 3 27 ATOM 27 C LIG 1 -2.273 1.028 -0.920 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 N LIG 1 -2.235 -0.455 -1.029 0.00 0.00 -0.168 NA ATOM 29 S LIG 1 -2.499 -1.309 0.424 0.00 0.00 +0.066 S ATOM 30 O LIG 1 -2.486 -0.365 1.523 0.00 0.00 -0.153 OA ATOM 31 O LIG 1 -1.644 -2.473 0.452 0.00 0.00 -0.153 OA ATOM 32 C LIG 1 -4.150 -1.845 0.214 0.00 0.00 +0.167 A ATOM 33 C LIG 1 -4.415 -2.748 -0.795 0.00 0.00 +0.242 A ATOM 34 N LIG 1 -5.661 -3.182 -1.084 0.00 0.00 -0.220 NA ATOM 35 C LIG 1 -6.667 -2.704 -0.317 0.00 0.00 +0.115 A ATOM 36 C LIG 1 -6.487 -1.801 0.722 0.00 0.00 +0.022 A ATOM 37 O LIG 1 -3.418 -3.316 -1.533 0.00 0.00 -0.468 OA ATOM 38 C LIG 1 -2.832 -2.482 -2.550 0.00 0.00 +0.121 C ATOM 39 C LIG 1 -3.608 -2.769 -3.852 0.00 0.00 +0.057 C ATOM 40 C LIG 1 -1.388 -2.972 -2.756 0.00 0.00 +0.057 C ATOM 41 C LIG 1 -5.197 -1.356 0.992 0.00 0.00 +0.035 A ATOM 42 C LIG 1 -2.844 -0.950 -2.302 0.00 0.00 +0.157 C ENDBRANCH 27 28 ENDBRANCH 3 27 TORSDOF 7