REMARK Name = BDB000153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.929 1.182 0.331 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.618 1.865 1.507 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -0.742 1.823 2.053 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -1.372 3.081 1.470 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -0.209 4.085 1.497 0.00 0.00 +0.021 C ATOM 6 C LIG 1 1.067 3.242 1.660 0.00 0.00 +0.109 C ATOM 7 O LIG 1 0.098 0.506 -0.279 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.593 0.535 2.039 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -2.246 0.279 0.851 0.00 0.00 -0.303 N ATOM 10 H LIG 1 -1.669 0.531 0.048 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -1.648 -0.207 3.018 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.979 -0.966 0.672 0.00 0.00 +0.134 C BRANCH 12 13 ATOM 13 C LIG 1 -4.337 -0.978 1.374 0.00 0.00 -0.023 A ATOM 14 C LIG 1 -5.043 0.199 1.677 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -6.288 0.144 2.306 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.853 -1.087 2.634 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.174 -2.264 2.332 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -4.926 -2.212 1.706 0.00 0.00 +0.006 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -3.068 -1.280 -0.821 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -4.055 -0.716 -1.648 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -4.085 -0.995 -3.016 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.121 -1.828 -3.580 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.123 -2.380 -2.779 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.093 -2.104 -1.411 0.00 0.00 +0.006 A ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 2.400 1.246 -0.146 0.00 0.00 +0.162 C BRANCH 25 27 ATOM 26 C LIG 1 4.089 -0.595 -0.070 0.00 0.00 +0.230 C ATOM 27 N LIG 1 2.832 -0.125 -0.377 0.00 0.00 -0.302 N ATOM 28 H LIG 1 2.220 -0.758 -0.889 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 4.957 0.104 0.442 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 4.259 -2.101 -0.400 0.00 0.00 +0.137 C BRANCH 30 31 ATOM 31 N LIG 1 3.663 -2.359 -1.737 0.00 0.00 -0.320 NA ATOM 32 H LIG 1 3.789 -3.345 -1.966 0.00 0.00 +0.119 HD ATOM 33 H LIG 1 4.205 -1.845 -2.435 0.00 0.00 +0.119 HD ENDBRANCH 30 31 BRANCH 30 35 ATOM 34 C LIG 1 6.274 -2.696 1.039 0.00 0.00 +0.006 C ATOM 35 C LIG 1 5.724 -2.556 -0.376 0.00 0.00 +0.024 C ENDBRANCH 30 35 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 36 ATOM 36 C LIG 1 2.545 2.144 -1.402 0.00 0.00 +0.012 C ATOM 37 C LIG 1 2.006 1.507 -2.689 0.00 0.00 +0.009 C ATOM 38 C LIG 1 4.003 2.565 -1.615 0.00 0.00 +0.009 C ENDBRANCH 25 36 ENDBRANCH 1 25 TORSDOF 10