REMARK Name = BDB039407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.033 -1.112 0.109 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -0.422 -2.378 -0.167 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -1.671 -2.680 0.239 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -2.568 -1.838 0.889 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.756 -2.592 1.110 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -3.555 -3.858 0.605 0.00 0.00 +0.089 A ATOM 7 C LIG 1 -2.156 -0.518 1.164 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -2.289 -3.896 0.079 0.00 0.00 -0.324 N ATOM 9 C LIG 1 -0.853 -0.178 0.752 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.598 1.115 -0.383 0.00 0.00 -0.282 N ATOM 11 C LIG 1 5.286 0.273 -1.441 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.988 -0.060 -2.376 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.909 -0.185 -1.226 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.469 0.322 -0.008 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.192 0.033 0.451 0.00 0.00 +0.016 A ATOM 16 C LIG 1 1.339 -0.774 -0.334 0.00 0.00 +0.001 A ATOM 17 C LIG 1 1.834 -1.279 -1.567 0.00 0.00 +0.011 A ATOM 18 C LIG 1 3.123 -0.989 -2.024 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.557 1.114 0.635 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 11.070 1.749 -0.225 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.845 1.680 -0.263 0.00 0.00 +0.219 C ATOM 22 N LIG 1 9.178 0.632 0.318 0.00 0.00 -0.255 N ATOM 23 H LIG 1 9.756 -0.080 0.743 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.822 0.493 0.505 0.00 0.00 +0.240 C ATOM 25 O LIG 1 7.381 -0.417 1.207 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.942 1.603 -0.092 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.636 2.252 -1.290 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.996 2.778 -0.860 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -1.643 -5.051 -0.574 0.00 0.00 +0.140 C ATOM 30 C LIG 1 -1.767 -6.355 0.210 0.00 0.00 +0.187 C ATOM 31 O LIG 1 -2.721 -6.887 -0.743 0.00 0.00 -0.376 OA ATOM 32 C LIG 1 -2.519 -5.746 -1.614 0.00 0.00 +0.187 C ENDBRANCH 8 29 BRANCH 7 33 ATOM 33 C LIG 1 -3.027 0.503 1.861 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -4.214 0.888 1.077 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -5.157 1.636 1.925 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -6.443 1.960 1.163 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -6.106 2.748 -0.098 0.00 0.00 +0.020 C ATOM 38 C LIG 1 -7.328 3.258 -0.884 0.00 0.00 +0.169 C ATOM 39 O LIG 1 -6.828 4.617 -0.857 0.00 0.00 -0.379 OA ATOM 40 C LIG 1 -5.812 4.249 0.105 0.00 0.00 +0.169 C ATOM 41 C LIG 1 -5.088 1.999 -0.957 0.00 0.00 +0.027 C ATOM 42 C LIG 1 -3.850 1.662 -0.122 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 5