REMARK Name = BDB023987 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.767 -0.086 1.201 0.00 0.00 +0.003 A ATOM 2 C LIG 1 0.298 0.538 0.537 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.620 0.284 0.923 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.879 -0.569 2.004 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.820 -1.181 2.678 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.496 -0.943 2.276 0.00 0.00 +0.010 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -3.907 -4.925 1.208 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -4.854 -4.099 0.373 0.00 0.00 +0.213 C ATOM 9 N LIG 1 -4.514 -2.768 0.157 0.00 0.00 -0.297 N ATOM 10 C LIG 1 -3.163 -2.246 0.453 0.00 0.00 +0.146 C ATOM 11 C LIG 1 -3.164 -0.759 0.470 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -2.139 0.174 0.779 0.00 0.00 +0.098 A ATOM 13 N LIG 1 -2.575 1.432 0.605 0.00 0.00 -0.170 NA ATOM 14 N LIG 1 -3.862 1.315 0.228 0.00 0.00 -0.262 N ATOM 15 C LIG 1 -4.245 0.014 0.103 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -5.555 -0.527 -0.334 0.00 0.00 +0.074 C ATOM 17 C LIG 1 -5.357 -1.991 -0.776 0.00 0.00 +0.114 C ATOM 18 O LIG 1 -5.882 -4.608 -0.073 0.00 0.00 -0.276 OA BRANCH 14 19 ATOM 19 C LIG 1 -4.650 2.497 -0.019 0.00 0.00 +0.135 C ATOM 20 C LIG 1 -4.618 3.535 1.089 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -5.033 4.774 0.482 0.00 0.00 -0.378 OA ATOM 22 C LIG 1 -4.874 4.651 -0.940 0.00 0.00 +0.162 C ATOM 23 C LIG 1 -4.207 3.318 -1.212 0.00 0.00 +0.057 C ENDBRANCH 14 19 ENDBRANCH 1 12 BRANCH 3 24 ATOM 24 C LIG 1 2.721 0.960 0.179 0.00 0.00 +0.248 C ATOM 25 N LIG 1 3.862 0.195 0.013 0.00 0.00 -0.281 N ATOM 26 H LIG 1 3.810 -0.772 0.305 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 2.526 2.091 -0.247 0.00 0.00 -0.270 OA BRANCH 25 28 ATOM 28 C LIG 1 5.072 0.580 -0.607 0.00 0.00 +0.036 A ATOM 29 C LIG 1 6.058 -0.415 -0.734 0.00 0.00 +0.051 A ATOM 30 C LIG 1 7.276 -0.068 -1.341 0.00 0.00 +0.070 A ATOM 31 C LIG 1 7.534 1.216 -1.810 0.00 0.00 +0.020 A ATOM 32 C LIG 1 8.841 1.149 -2.337 0.00 0.00 +0.142 A ATOM 33 N LIG 1 9.382 -0.066 -2.221 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 6.548 2.205 -1.675 0.00 0.00 +0.013 A ATOM 35 N LIG 1 8.415 -0.784 -1.616 0.00 0.00 -0.267 N ATOM 36 C LIG 1 8.645 -2.178 -1.323 0.00 0.00 +0.173 C ATOM 37 C LIG 1 5.325 1.872 -1.071 0.00 0.00 +0.024 A ENDBRANCH 25 28 ENDBRANCH 3 24 TORSDOF 4