REMARK Name = BDB025561 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.420 1.840 1.344 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.217 2.133 0.155 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.392 2.400 -0.622 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.094 1.139 2.214 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -2.907 1.421 -0.537 0.00 0.00 +0.241 C ATOM 6 N LIG 1 -2.836 1.547 0.839 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -1.842 2.434 1.462 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -2.275 2.545 2.933 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -3.751 2.186 2.918 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.842 1.137 1.812 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -2.133 2.070 -1.250 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 O LIG 1 -4.530 3.328 2.570 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -4.452 3.969 3.299 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -3.986 0.513 -1.151 0.00 0.00 +0.198 C BRANCH 14 15 ATOM 15 N LIG 1 -3.930 -0.838 -0.613 0.00 0.00 -0.232 N ATOM 16 C LIG 1 -4.973 -1.599 -0.133 0.00 0.00 +0.090 A ATOM 17 C LIG 1 -4.342 -2.768 0.284 0.00 0.00 +0.113 A ATOM 18 C LIG 1 -5.103 -3.804 0.849 0.00 0.00 +0.032 A ATOM 19 C LIG 1 -6.487 -3.626 0.976 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -7.098 -2.443 0.549 0.00 0.00 +0.002 A ATOM 21 N LIG 1 -2.997 -2.674 0.052 0.00 0.00 -0.129 NA ATOM 22 C LIG 1 -6.354 -1.398 -0.016 0.00 0.00 +0.029 A ATOM 23 N LIG 1 -2.752 -1.488 -0.494 0.00 0.00 -0.064 NA ENDBRANCH 14 15 BRANCH 14 25 ATOM 24 C LIG 1 -2.815 -0.174 -3.369 0.00 0.00 +0.010 C ATOM 25 C LIG 1 -3.989 0.560 -2.709 0.00 0.00 +0.016 C ATOM 26 C LIG 1 -5.307 0.030 -3.282 0.00 0.00 +0.010 C ENDBRANCH 14 25 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 27 ATOM 27 C LIG 1 1.467 1.470 -0.217 0.00 0.00 +0.163 C BRANCH 27 28 ATOM 28 C LIG 1 1.723 1.742 -1.714 0.00 0.00 +0.231 C ATOM 29 O LIG 1 1.212 2.673 -2.333 0.00 0.00 -0.274 OA ATOM 30 N LIG 1 2.583 0.892 -2.348 0.00 0.00 -0.328 N ATOM 31 H LIG 1 2.800 1.079 -3.318 0.00 0.00 +0.145 HD ATOM 32 H LIG 1 3.131 0.196 -1.853 0.00 0.00 +0.145 HD ENDBRANCH 27 28 BRANCH 27 33 ATOM 33 C LIG 1 2.655 1.971 0.627 0.00 0.00 +0.067 C BRANCH 33 34 ATOM 34 C LIG 1 3.871 1.073 0.577 0.00 0.00 -0.045 A ATOM 35 C LIG 1 5.091 1.555 0.080 0.00 0.00 +0.004 A ATOM 36 C LIG 1 6.214 0.721 0.029 0.00 0.00 +0.009 A ATOM 37 C LIG 1 6.152 -0.615 0.469 0.00 0.00 -0.018 A ATOM 38 C LIG 1 4.924 -1.082 0.969 0.00 0.00 +0.009 A ATOM 39 C LIG 1 3.802 -0.250 1.032 0.00 0.00 +0.004 A BRANCH 37 40 ATOM 40 C LIG 1 7.335 -1.496 0.404 0.00 0.00 -0.018 A ATOM 41 C LIG 1 8.131 -1.565 -0.755 0.00 0.00 +0.008 A ATOM 42 C LIG 1 9.248 -2.404 -0.818 0.00 0.00 +0.001 A ATOM 43 C LIG 1 9.590 -3.192 0.278 0.00 0.00 +0.000 A ATOM 44 C LIG 1 8.818 -3.140 1.437 0.00 0.00 +0.001 A ATOM 45 C LIG 1 7.704 -2.299 1.500 0.00 0.00 +0.008 A ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 2 27 TORSDOF 10