REMARK Name = BDB008225 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.105 0.429 -0.076 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.323 0.038 0.147 0.00 0.00 +0.237 C ATOM 3 N LIG 1 -0.122 -0.272 -0.448 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -0.155 -0.540 -1.426 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -1.383 0.755 1.152 0.00 0.00 -0.273 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.614 -0.599 -0.476 0.00 0.00 +0.110 C BRANCH 6 7 ATOM 7 N LIG 1 -3.705 -0.004 0.335 0.00 0.00 -0.301 N ATOM 8 H LIG 1 -3.396 0.617 1.080 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 -5.051 -0.219 0.159 0.00 0.00 +0.216 C ATOM 10 O LIG 1 -5.510 -0.935 -0.723 0.00 0.00 -0.276 OA BRANCH 9 11 ATOM 11 C LIG 1 -5.923 0.526 1.168 0.00 0.00 +0.069 C ATOM 12 C LIG 1 -7.397 0.451 0.778 0.00 0.00 +0.017 C ATOM 13 C LIG 1 -5.717 -0.037 2.573 0.00 0.00 +0.017 C ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 15 ATOM 14 C LIG 1 -2.869 1.283 -2.228 0.00 0.00 +0.006 C ATOM 15 C LIG 1 -2.756 -0.218 -1.970 0.00 0.00 +0.032 C ENDBRANCH 6 15 BRANCH 6 16 ATOM 16 C LIG 1 -2.590 -2.134 -0.232 0.00 0.00 +0.032 C ATOM 17 C LIG 1 -1.732 -2.975 -1.170 0.00 0.00 +0.006 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 1.393 1.463 -1.183 0.00 0.00 +0.234 C ATOM 19 N LIG 1 2.265 2.467 -0.819 0.00 0.00 -0.311 N ATOM 20 H LIG 1 2.703 2.432 0.094 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 0.915 1.357 -2.312 0.00 0.00 -0.274 OA BRANCH 19 22 ATOM 22 C LIG 1 2.736 3.453 -1.779 0.00 0.00 +0.073 C ATOM 23 C LIG 1 3.346 4.665 -1.082 0.00 0.00 +0.022 C ATOM 24 C LIG 1 4.782 4.254 -0.756 0.00 0.00 +0.002 C ATOM 25 C LIG 1 5.119 3.094 -1.693 0.00 0.00 +0.002 C ATOM 26 C LIG 1 3.907 2.923 -2.603 0.00 0.00 +0.022 C ENDBRANCH 19 22 ENDBRANCH 1 18 BRANCH 1 27 ATOM 27 C LIG 1 2.282 -0.547 0.037 0.00 0.00 +0.033 C BRANCH 27 28 ATOM 28 C LIG 1 2.113 -1.516 1.211 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 3.312 -2.455 1.330 0.00 0.00 +0.115 C BRANCH 29 30 ATOM 30 N LIG 1 3.132 -3.329 2.479 0.00 0.00 -0.356 N ATOM 31 H LIG 1 2.231 -3.792 2.487 0.00 0.00 +0.162 HD BRANCH 30 32 ATOM 32 C LIG 1 4.130 -4.156 2.869 0.00 0.00 +0.188 C ATOM 33 N LIG 1 5.322 -4.144 2.401 0.00 0.00 -0.269 NA ATOM 34 H LIG 1 5.875 -4.878 2.844 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 3.716 -5.002 3.833 0.00 0.00 -0.370 N ATOM 36 H LIG 1 4.464 -5.465 4.333 0.00 0.00 +0.159 HD ATOM 37 H LIG 1 3.075 -4.561 4.481 0.00 0.00 +0.159 HD ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 14