REMARK Name = BDB021498 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.253 1.204 -1.301 0.00 0.00 +0.124 A ATOM 2 C LIG 1 2.545 0.081 -0.881 0.00 0.00 +0.092 A ATOM 3 C LIG 1 1.135 0.005 -0.974 0.00 0.00 +0.136 A ATOM 4 O LIG 1 0.696 -1.197 -0.498 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -0.669 -1.551 -0.649 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -1.571 -0.543 0.034 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.969 0.478 -0.920 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -1.067 1.236 -1.658 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.480 2.083 -2.453 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.415 1.091 -1.488 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.150 2.221 -1.912 0.00 0.00 +0.020 A ATOM 12 C LIG 1 2.542 2.277 -1.818 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 4.604 1.384 -1.256 0.00 0.00 -0.489 OA BRANCH 13 17 ATOM 14 N LIG 1 7.933 -0.483 0.481 0.00 0.00 -0.300 NA ATOM 15 C LIG 1 7.822 -0.516 -0.984 0.00 0.00 +0.088 C ATOM 16 C LIG 1 6.815 0.519 -1.480 0.00 0.00 +0.060 C ATOM 17 C LIG 1 5.445 0.305 -0.836 0.00 0.00 +0.176 C ATOM 18 C LIG 1 5.603 0.305 0.684 0.00 0.00 +0.060 C ATOM 19 C LIG 1 6.636 -0.730 1.125 0.00 0.00 +0.088 C BRANCH 14 21 ATOM 20 C LIG 1 8.777 -2.843 0.926 0.00 0.00 +0.024 C ATOM 21 C LIG 1 9.038 -1.333 0.972 0.00 0.00 +0.050 C ATOM 22 C LIG 1 9.451 -0.914 2.389 0.00 0.00 +0.024 C ENDBRANCH 14 21 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 7 23 ATOM 23 C LIG 1 -3.411 0.718 -1.117 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -3.903 1.964 -0.359 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -3.630 1.845 1.046 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -2.662 1.775 1.112 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -5.405 2.246 -0.600 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -6.328 1.101 -0.425 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -6.366 0.650 0.983 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -7.458 -0.361 1.279 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -8.553 -0.524 0.414 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -9.556 -1.452 0.724 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -9.487 -2.195 1.902 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.415 -2.021 2.774 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.612 0.257 -0.872 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -7.407 -1.107 2.466 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -7.686 1.480 -0.853 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 8