REMARK Name = BDB032137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.650 0.557 -0.268 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.660 -0.267 0.246 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.666 -1.476 0.370 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.554 0.604 0.658 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -3.949 1.920 0.453 0.00 0.00 +0.017 A ATOM 6 C LIG 1 -3.085 2.944 0.759 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -1.823 2.645 1.274 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -1.430 1.305 1.496 0.00 0.00 -0.007 A ATOM 9 F LIG 1 -3.445 4.217 0.562 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -2.314 0.263 1.172 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -5.335 1.969 -0.079 0.00 0.00 +0.147 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 -10.346 -2.318 -0.458 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -9.316 -1.652 -0.490 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -8.870 -0.987 0.625 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.418 -1.113 1.465 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.814 -0.110 0.721 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -7.618 0.515 1.763 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -7.010 0.119 -0.568 0.00 0.00 +0.163 C ATOM 19 C LIG 1 -7.075 -1.116 -1.466 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -8.529 -1.446 -1.763 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 C LIG 1 -0.056 0.995 2.034 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 0.806 0.782 0.913 0.00 0.00 -0.445 OA BRANCH 22 23 ATOM 23 C LIG 1 2.094 0.528 1.258 0.00 0.00 +0.405 C ATOM 24 N LIG 1 2.811 0.333 0.113 0.00 0.00 -0.250 N ATOM 25 H LIG 1 2.261 0.406 -0.732 0.00 0.00 +0.158 HD ATOM 26 O LIG 1 2.500 0.490 2.409 0.00 0.00 -0.226 OA BRANCH 24 27 ATOM 27 C LIG 1 4.181 0.048 -0.002 0.00 0.00 +0.055 A ATOM 28 C LIG 1 5.063 -0.082 1.063 0.00 0.00 +0.134 A ATOM 29 N LIG 1 6.386 -0.357 0.928 0.00 0.00 -0.253 NA ATOM 30 C LIG 1 6.888 -0.510 -0.323 0.00 0.00 +0.071 A ATOM 31 C LIG 1 6.067 -0.403 -1.444 0.00 0.00 +0.030 A ATOM 32 C LIG 1 4.708 -0.121 -1.280 0.00 0.00 +0.027 A BRANCH 30 33 ATOM 33 C LIG 1 8.335 -0.807 -0.407 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.982 -1.514 0.624 0.00 0.00 +0.010 A ATOM 35 C LIG 1 10.346 -1.812 0.565 0.00 0.00 +0.001 A ATOM 36 C LIG 1 11.100 -1.403 -0.530 0.00 0.00 +0.000 A ATOM 37 C LIG 1 10.491 -0.692 -1.560 0.00 0.00 +0.001 A ATOM 38 C LIG 1 9.124 -0.396 -1.497 0.00 0.00 +0.010 A ENDBRANCH 30 33 ENDBRANCH 24 27 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 6