REMARK Name = BDB039156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.035 0.087 -1.245 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.072 0.875 -0.642 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.851 0.213 -0.195 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.733 1.147 0.193 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.898 2.552 0.191 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.837 3.396 0.543 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.594 2.887 0.932 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.445 1.494 0.947 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.616 0.653 1.253 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.163 -0.650 1.128 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.089 -0.665 0.709 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.211 3.147 -0.252 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.481 0.639 0.594 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.369 2.174 -0.051 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.865 -1.086 -1.557 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.941 -1.909 1.421 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.244 -2.735 2.525 0.00 0.00 +0.011 C ATOM 18 C LIG 1 0.630 -3.849 1.956 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.177 -4.830 1.105 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -1.384 -4.193 0.415 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.152 -2.716 0.123 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.217 -0.025 -2.088 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.202 0.756 -1.459 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.929 1.127 1.683 0.00 0.00 +0.086 C ATOM 25 C LIG 1 -2.158 0.829 3.171 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 -3.132 0.682 0.812 0.00 0.00 +0.029 C BRANCH 26 27 ATOM 27 C LIG 1 -3.288 1.427 -0.545 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -4.652 1.154 -1.245 0.00 0.00 +0.101 C ATOM 29 C LIG 1 -4.579 -0.087 -2.142 0.00 0.00 +0.015 C ATOM 30 C LIG 1 -3.578 0.106 -3.283 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -2.501 1.145 -2.972 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -2.110 1.114 -1.499 0.00 0.00 +0.004 C BRANCH 28 33 ATOM 33 C LIG 1 -5.823 1.150 -0.284 0.00 0.00 +0.308 C ATOM 34 O LIG 1 -6.241 2.127 0.318 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -6.369 -0.058 -0.070 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -7.095 0.115 0.566 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 7