REMARK Name = BDB006354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.654 2.120 -1.027 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -2.322 1.115 -1.949 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.003 1.034 -2.440 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -0.357 0.164 -3.359 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.953 0.565 -3.465 0.00 0.00 +0.087 A ATOM 6 N LIG 1 1.137 1.645 -2.636 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -0.052 1.965 -2.006 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.379 2.986 -1.099 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -1.692 3.049 -0.623 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 -4.762 1.081 -0.381 0.00 0.00 -0.305 N ATOM 11 H LIG 1 -4.284 0.197 -0.494 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 -4.031 2.246 -0.474 0.00 0.00 +0.245 C ATOM 13 O LIG 1 -4.448 3.336 -0.098 0.00 0.00 -0.270 OA BRANCH 10 15 ATOM 14 C LIG 1 -7.137 1.664 -0.721 0.00 0.00 +0.033 C ATOM 15 C LIG 1 -6.087 1.061 0.217 0.00 0.00 +0.100 C BRANCH 15 16 ATOM 16 C LIG 1 -6.439 -0.361 0.629 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -6.481 -0.699 1.992 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -6.786 -2.001 2.399 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -7.044 -2.982 1.434 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -6.997 -2.667 0.071 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -6.691 -1.362 -0.325 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 -7.364 -4.351 1.855 0.00 0.00 +0.056 N ATOM 23 O LIG 1 -7.410 -4.585 3.071 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 -7.567 -5.194 0.969 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 2.400 2.364 -2.505 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.375 1.628 -1.620 0.00 0.00 -0.028 A ATOM 27 C LIG 1 4.481 0.970 -2.173 0.00 0.00 +0.006 A ATOM 28 C LIG 1 5.384 0.284 -1.355 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.211 0.235 0.037 0.00 0.00 -0.018 A ATOM 30 C LIG 1 4.100 0.896 0.583 0.00 0.00 +0.009 A ATOM 31 C LIG 1 3.193 1.582 -0.232 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.162 -0.488 0.896 0.00 0.00 -0.018 A ATOM 33 C LIG 1 6.779 0.147 1.988 0.00 0.00 +0.009 A ATOM 34 C LIG 1 7.685 -0.537 2.807 0.00 0.00 +0.015 A ATOM 35 C LIG 1 7.990 -1.877 2.547 0.00 0.00 +0.059 A ATOM 36 C LIG 1 7.384 -2.524 1.466 0.00 0.00 +0.015 A ATOM 37 C LIG 1 6.480 -1.834 0.650 0.00 0.00 +0.009 A BRANCH 35 38 ATOM 38 C LIG 1 8.942 -2.646 3.384 0.00 0.00 +0.337 C ATOM 39 O LIG 1 9.262 -3.808 3.216 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 9.452 -1.921 4.396 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 10.051 -2.548 4.853 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9