REMARK Name = BDB014499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.616 1.937 1.749 0.00 0.00 -0.272 OA ATOM 2 C LIG 1 -0.309 1.988 0.561 0.00 0.00 +0.251 C ATOM 3 N LIG 1 -0.714 1.064 -0.376 0.00 0.00 -0.310 N ATOM 4 H LIG 1 -0.155 1.015 -1.225 0.00 0.00 +0.149 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -1.360 -0.175 0.021 0.00 0.00 +0.136 C BRANCH 5 6 ATOM 6 C LIG 1 -1.933 -0.942 -1.180 0.00 0.00 +0.145 C BRANCH 6 7 ATOM 7 O LIG 1 -0.897 -1.082 -2.170 0.00 0.00 -0.389 OA ATOM 8 H LIG 1 -1.239 -1.669 -2.866 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 -3.161 -0.250 -1.817 0.00 0.00 +0.117 C BRANCH 9 10 ATOM 10 N LIG 1 -4.340 -0.129 -0.943 0.00 0.00 -0.295 NA ATOM 11 C LIG 1 -4.943 -1.443 -0.645 0.00 0.00 +0.120 C ATOM 12 C LIG 1 -6.272 -1.367 0.078 0.00 0.00 -0.030 A ATOM 13 C LIG 1 -7.030 -0.183 0.079 0.00 0.00 -0.042 A ATOM 14 C LIG 1 -8.268 -0.148 0.735 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -8.764 -1.288 1.365 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -8.025 -2.469 1.350 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.479 1.060 -0.569 0.00 0.00 +0.051 C ATOM 18 C LIG 1 -6.787 -2.510 0.708 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -5.349 0.750 -1.559 0.00 0.00 +0.089 C ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 5 6 ENDBRANCH 3 5 BRANCH 2 20 ATOM 20 C LIG 1 0.531 3.131 -0.013 0.00 0.00 +0.324 C BRANCH 20 21 ATOM 21 O LIG 1 1.313 2.787 -1.150 0.00 0.00 -0.483 OA BRANCH 21 22 ATOM 22 C LIG 1 2.491 2.122 -0.942 0.00 0.00 +0.123 A ATOM 23 C LIG 1 2.948 1.604 0.275 0.00 0.00 +0.068 A ATOM 24 C LIG 1 4.180 0.929 0.381 0.00 0.00 +0.031 A ATOM 25 C LIG 1 4.917 0.751 -0.792 0.00 0.00 +0.023 A ATOM 26 C LIG 1 4.471 1.261 -2.016 0.00 0.00 +0.005 A ATOM 27 C LIG 1 3.262 1.945 -2.087 0.00 0.00 +0.046 A BRANCH 24 28 ATOM 28 N LIG 1 4.522 0.398 1.616 0.00 0.00 -0.341 N ATOM 29 H LIG 1 4.082 0.885 2.394 0.00 0.00 +0.146 HD BRANCH 28 30 ATOM 30 C LIG 1 5.751 -0.296 2.003 0.00 0.00 +0.075 C ATOM 31 C LIG 1 5.860 -1.686 1.384 0.00 0.00 +0.050 C ATOM 32 C LIG 1 7.113 -2.398 1.887 0.00 0.00 +0.161 C ATOM 33 O LIG 1 8.171 -1.514 2.263 0.00 0.00 -0.380 OA ATOM 34 C LIG 1 8.211 -0.325 1.480 0.00 0.00 +0.161 C ATOM 35 C LIG 1 7.013 0.551 1.817 0.00 0.00 +0.050 C ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 2 20 TORSDOF 10