REMARK Name = BDB051764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.289 -0.323 -0.588 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.733 -1.574 -0.326 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.606 -1.831 -0.648 0.00 0.00 +0.010 A ATOM 4 C LIG 1 -1.401 -0.842 -1.242 0.00 0.00 -0.008 A ATOM 5 C LIG 1 -0.840 0.418 -1.488 0.00 0.00 +0.010 A ATOM 6 C LIG 1 0.494 0.672 -1.162 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 2.574 0.060 -0.322 0.00 0.00 -0.486 OA BRANCH 7 8 ATOM 8 C LIG 1 3.486 -0.961 0.094 0.00 0.00 +0.288 C BRANCH 8 11 ATOM 9 C LIG 1 4.566 1.891 1.506 0.00 0.00 +0.088 C ATOM 10 C LIG 1 5.263 0.767 0.857 0.00 0.00 +0.129 A ATOM 11 C LIG 1 4.862 -0.412 0.266 0.00 0.00 +0.120 A ATOM 12 N LIG 1 5.973 -1.102 -0.176 0.00 0.00 -0.210 NA ATOM 13 C LIG 1 6.989 -0.317 0.133 0.00 0.00 +0.228 A ATOM 14 O LIG 1 6.624 0.839 0.774 0.00 0.00 -0.440 OA BRANCH 13 15 ATOM 15 C LIG 1 8.417 -0.514 -0.109 0.00 0.00 +0.037 A ATOM 16 C LIG 1 8.858 -1.691 -0.735 0.00 0.00 +0.013 A ATOM 17 C LIG 1 10.217 -1.905 -0.982 0.00 0.00 +0.001 A ATOM 18 C LIG 1 11.153 -0.945 -0.608 0.00 0.00 +0.000 A ATOM 19 C LIG 1 10.732 0.230 0.013 0.00 0.00 +0.001 A ATOM 20 C LIG 1 9.373 0.443 0.261 0.00 0.00 +0.013 A ENDBRANCH 13 15 ENDBRANCH 8 11 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 21 ATOM 21 C LIG 1 -2.842 -1.113 -1.585 0.00 0.00 +0.298 C BRANCH 21 22 ATOM 22 O LIG 1 -3.662 -0.608 -0.532 0.00 0.00 -0.389 OA BRANCH 22 23 ATOM 23 N LIG 1 -5.008 -0.755 -0.897 0.00 0.00 -0.089 NA ATOM 24 C LIG 1 -5.811 -0.278 0.011 0.00 0.00 +0.088 C BRANCH 24 25 ATOM 25 C LIG 1 -7.288 -0.352 -0.236 0.00 0.00 -0.001 A ATOM 26 C LIG 1 -7.775 -1.310 -1.137 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -9.144 -1.408 -1.396 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -10.036 -0.546 -0.763 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -9.561 0.415 0.128 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -8.191 0.515 0.391 0.00 0.00 +0.010 A ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 C LIG 1 -5.317 0.356 1.307 0.00 0.00 +0.070 C BRANCH 31 32 ATOM 32 C LIG 1 -4.849 1.787 1.062 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 C LIG 1 -4.768 2.567 2.343 0.00 0.00 +0.305 C ATOM 34 O LIG 1 -5.172 2.231 3.443 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -4.194 3.773 2.165 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -4.196 4.175 3.060 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 24 31 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 12