REMARK Name = BDB059944 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.794 2.126 -0.840 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.481 1.659 -0.970 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -0.652 0.724 -1.992 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.906 0.155 -2.239 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -3.012 0.510 -1.461 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -2.840 1.448 -0.444 0.00 0.00 +0.027 A ATOM 7 C LIG 1 -1.582 2.017 -0.197 0.00 0.00 +0.047 A BRANCH 5 8 ATOM 8 N LIG 1 -4.245 -0.097 -1.777 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -4.223 -0.777 -2.520 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -5.435 -0.018 -1.064 0.00 0.00 +0.308 C ATOM 11 N LIG 1 -6.450 -0.654 -1.766 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -6.265 -0.837 -2.740 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 -5.568 0.532 0.021 0.00 0.00 -0.252 OA BRANCH 11 14 ATOM 14 C LIG 1 -7.774 -0.891 -1.338 0.00 0.00 +0.035 A ATOM 15 C LIG 1 -8.223 -0.672 -0.035 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -9.551 -0.943 0.312 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -10.439 -1.440 -0.639 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -9.999 -1.669 -1.940 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -8.672 -1.398 -2.286 0.00 0.00 +0.023 A ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 1.076 3.112 0.157 0.00 0.00 +0.233 C BRANCH 20 21 ATOM 21 C LIG 1 1.336 2.489 1.532 0.00 0.00 +0.076 C BRANCH 21 25 ATOM 22 C LIG 1 5.135 0.417 1.696 0.00 0.00 +0.122 A ATOM 23 C LIG 1 4.000 -0.230 1.218 0.00 0.00 +0.046 A ATOM 24 C LIG 1 2.773 0.442 1.166 0.00 0.00 +0.007 A ATOM 25 C LIG 1 2.661 1.767 1.602 0.00 0.00 -0.044 A ATOM 26 C LIG 1 3.800 2.411 2.094 0.00 0.00 +0.007 A ATOM 27 C LIG 1 5.022 1.736 2.145 0.00 0.00 +0.046 A BRANCH 22 28 ATOM 28 O LIG 1 6.389 -0.107 1.806 0.00 0.00 -0.477 OA BRANCH 28 30 ATOM 29 C LIG 1 6.678 -0.932 -0.485 0.00 0.00 +0.065 C ATOM 30 C LIG 1 6.821 -1.224 1.020 0.00 0.00 +0.180 C ATOM 31 C LIG 1 8.329 -1.321 1.330 0.00 0.00 +0.065 C BRANCH 30 32 ATOM 32 C LIG 1 6.212 -2.599 1.420 0.00 0.00 +0.254 C ATOM 33 O LIG 1 5.513 -2.789 2.412 0.00 0.00 -0.272 OA ATOM 34 N LIG 1 6.511 -3.668 0.618 0.00 0.00 -0.326 N ATOM 35 H LIG 1 6.188 -4.570 0.949 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 7.273 -3.658 -0.044 0.00 0.00 +0.145 HD ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 22 28 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 9