REMARK Name = BDB002372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.559 1.384 0.159 0.00 0.00 +0.160 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -0.727 0.784 0.934 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.262 1.732 0.740 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -0.080 2.660 0.518 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -0.553 -0.416 0.735 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.055 1.355 1.484 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 -3.962 0.621 0.096 0.00 0.00 +0.230 C ATOM 8 N LIG 1 -3.130 0.422 1.179 0.00 0.00 -0.302 N ATOM 9 H LIG 1 -2.933 -0.568 1.332 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 -4.052 1.686 -0.509 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 -4.843 -0.600 -0.236 0.00 0.00 +0.137 C ATOM 12 C LIG 1 -6.068 -0.580 0.676 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 -3.108 -2.087 -1.072 0.00 0.00 +0.101 C ATOM 14 N LIG 1 -4.093 -1.864 -0.011 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 -4.752 -2.642 -0.026 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 -1.942 1.653 2.995 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -3.157 2.448 3.484 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -1.768 0.394 3.851 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 1.407 0.802 -1.270 0.00 0.00 +0.249 C ATOM 20 N LIG 1 2.422 -0.040 -1.700 0.00 0.00 -0.235 N ATOM 21 H LIG 1 2.838 -0.686 -1.036 0.00 0.00 +0.173 HD ATOM 22 O LIG 1 0.500 1.166 -2.026 0.00 0.00 -0.272 OA BRANCH 20 23 ATOM 23 N LIG 1 2.234 -0.612 -2.981 0.00 0.00 -0.264 N ATOM 24 H LIG 1 1.346 -0.280 -3.385 0.00 0.00 +0.170 HD BRANCH 23 25 ATOM 25 C LIG 1 3.308 -0.355 -3.872 0.00 0.00 +0.044 A ATOM 26 C LIG 1 3.046 -0.309 -5.250 0.00 0.00 +0.024 A ATOM 27 C LIG 1 4.080 -0.133 -6.174 0.00 0.00 +0.002 A ATOM 28 C LIG 1 5.397 -0.029 -5.735 0.00 0.00 +0.000 A ATOM 29 C LIG 1 5.680 -0.113 -4.374 0.00 0.00 +0.002 A ATOM 30 C LIG 1 4.644 -0.290 -3.451 0.00 0.00 +0.024 A ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 31 ATOM 31 C LIG 1 2.550 0.730 1.139 0.00 0.00 +0.033 C BRANCH 31 32 ATOM 32 C LIG 1 2.207 -0.665 1.663 0.00 0.00 +0.017 C BRANCH 32 33 ATOM 33 C LIG 1 3.372 -1.246 2.470 0.00 0.00 +0.078 C BRANCH 33 34 ATOM 34 N LIG 1 3.070 -2.607 2.885 0.00 0.00 -0.330 NA ATOM 35 H LIG 1 2.191 -2.628 3.403 0.00 0.00 +0.118 HD ATOM 36 H LIG 1 3.789 -2.942 3.525 0.00 0.00 +0.118 HD ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 13