REMARK Name = BDB023874 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.903 -4.727 0.675 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -3.625 -3.766 -0.236 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.189 -2.446 -0.240 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -1.901 -2.044 0.357 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -1.853 -0.570 0.546 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.893 0.238 1.199 0.00 0.00 +0.098 A ATOM 7 N LIG 1 -1.232 1.532 1.132 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -2.408 1.560 0.466 0.00 0.00 -0.262 N ATOM 9 C LIG 1 -2.798 0.314 0.067 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -4.007 -0.103 -0.688 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -3.790 -1.531 -1.232 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -4.567 -4.160 -0.923 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 0.320 -0.198 1.879 0.00 0.00 +0.012 A ATOM 14 C LIG 1 1.603 -0.063 1.282 0.00 0.00 +0.010 A ATOM 15 C LIG 1 2.736 -0.540 1.973 0.00 0.00 +0.072 A ATOM 16 N LIG 1 3.982 -0.467 1.476 0.00 0.00 -0.247 NA ATOM 17 C LIG 1 4.175 0.101 0.262 0.00 0.00 +0.075 A ATOM 18 C LIG 1 3.130 0.606 -0.494 0.00 0.00 +0.029 A ATOM 19 C LIG 1 2.566 -1.121 3.223 0.00 0.00 +0.028 A ATOM 20 C LIG 1 1.309 -1.245 3.817 0.00 0.00 +0.003 A ATOM 21 C LIG 1 1.839 0.521 0.020 0.00 0.00 +0.013 A ATOM 22 C LIG 1 0.185 -0.785 3.144 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.557 0.138 -0.185 0.00 0.00 +0.038 A ATOM 24 C LIG 1 6.037 0.666 -1.367 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.390 0.476 -1.351 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.334 0.864 -2.370 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.832 -0.143 -0.244 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.717 -0.345 0.464 0.00 0.00 +0.144 A ENDBRANCH 17 23 ENDBRANCH 6 13 BRANCH 8 29 ATOM 29 C LIG 1 -3.058 2.845 0.305 0.00 0.00 +0.135 C ATOM 30 C LIG 1 -4.396 2.954 1.020 0.00 0.00 +0.186 C ATOM 31 O LIG 1 -5.272 3.688 0.153 0.00 0.00 -0.378 OA ATOM 32 C LIG 1 -4.838 3.447 -1.186 0.00 0.00 +0.162 C ATOM 33 C LIG 1 -3.335 3.269 -1.128 0.00 0.00 +0.057 C ENDBRANCH 8 29 TORSDOF 3