REMARK Name = BDB019384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.164 1.848 -1.245 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.013 2.279 0.152 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.914 2.167 1.202 0.00 0.00 +0.240 C ATOM 4 O LIG 1 -1.514 2.411 2.351 0.00 0.00 -0.273 OA ATOM 5 C LIG 1 0.274 2.938 0.350 0.00 0.00 +0.140 C ATOM 6 C LIG 1 0.916 3.015 -1.039 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -0.263 2.826 -1.996 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 -0.359 -0.307 -0.350 0.00 0.00 -0.310 N ATOM 9 H LIG 1 -0.289 0.221 0.510 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -0.665 0.402 -1.493 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -0.551 -0.069 -2.621 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 0.303 -1.589 -0.405 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 4.566 -0.964 0.004 0.00 0.00 -0.010 A ATOM 14 C LIG 1 3.953 -0.903 -1.254 0.00 0.00 +0.009 A ATOM 15 C LIG 1 2.579 -1.119 -1.385 0.00 0.00 +0.006 A ATOM 16 C LIG 1 1.792 -1.407 -0.262 0.00 0.00 -0.030 A ATOM 17 C LIG 1 2.403 -1.461 0.997 0.00 0.00 +0.006 A ATOM 18 C LIG 1 3.778 -1.246 1.127 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 7.000 -2.606 -1.345 0.00 0.00 +0.067 C ATOM 20 C LIG 1 7.072 -1.424 -0.445 0.00 0.00 +0.053 A ATOM 21 C LIG 1 6.006 -0.745 0.131 0.00 0.00 +0.042 A ATOM 22 S LIG 1 6.602 0.545 1.100 0.00 0.00 -0.075 S ATOM 23 C LIG 1 8.201 0.106 0.678 0.00 0.00 +0.156 A ATOM 24 N LIG 1 8.328 -0.927 -0.123 0.00 0.00 -0.252 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 3 25 ATOM 25 C LIG 1 -3.412 1.714 0.909 0.00 0.00 +0.114 C ATOM 26 C LIG 1 -4.442 2.255 1.992 0.00 0.00 +0.035 C ATOM 27 C LIG 1 -5.444 2.492 0.856 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -4.239 2.607 -0.088 0.00 0.00 +0.035 C BRANCH 25 29 ATOM 29 N LIG 1 -3.542 0.228 0.755 0.00 0.00 -0.279 N ATOM 30 C LIG 1 -3.716 -0.464 -0.438 0.00 0.00 +0.248 C ATOM 31 O LIG 1 -3.915 -0.023 -1.553 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 -3.570 -1.890 -0.134 0.00 0.00 +0.042 A ATOM 33 C LIG 1 -3.286 -2.019 1.222 0.00 0.00 -0.018 A ATOM 34 C LIG 1 -3.078 -3.270 1.776 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -3.157 -4.385 0.934 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.437 -4.239 -0.438 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -3.646 -2.974 -0.988 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -3.244 -0.674 1.861 0.00 0.00 +0.145 C ENDBRANCH 25 29 ENDBRANCH 3 25 BRANCH 6 39 ATOM 39 O LIG 1 1.567 4.254 -1.274 0.00 0.00 -0.390 OA ATOM 40 H LIG 1 0.913 4.970 -1.191 0.00 0.00 +0.210 HD ENDBRANCH 6 39 TORSDOF 7