REMARK Name = BDB034216 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -6.164 -0.405 0.864 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -5.364 -1.376 1.448 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -5.674 -2.198 2.288 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -4.029 -1.237 0.854 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -4.051 -0.147 -0.009 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -2.908 0.210 -0.705 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -1.739 -0.543 -0.515 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -1.742 -1.650 0.355 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -2.900 -2.004 1.057 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -5.402 0.484 -0.006 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -10.733 2.353 2.103 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -9.810 1.562 1.935 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -8.680 1.618 2.709 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -8.646 2.401 3.348 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -7.451 1.095 2.376 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -6.425 1.572 2.854 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -7.487 -0.081 1.384 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -8.488 0.235 0.277 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -9.860 0.471 0.890 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -0.673 -0.111 -1.256 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 0.650 -0.590 -0.928 0.00 0.00 +0.190 C ATOM 22 C LIG 1 1.657 0.558 -1.282 0.00 0.00 +0.097 C ATOM 23 C LIG 1 1.465 0.880 -2.793 0.00 0.00 +0.022 C ATOM 24 C LIG 1 1.316 -0.348 -3.699 0.00 0.00 +0.002 C ATOM 25 C LIG 1 1.704 -1.652 -3.024 0.00 0.00 +0.004 C ATOM 26 C LIG 1 0.939 -1.880 -1.719 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 3.095 0.295 -0.943 0.00 0.00 -0.296 NA ATOM 28 C LIG 1 3.266 -0.291 0.401 0.00 0.00 +0.085 C ATOM 29 C LIG 1 4.731 -0.601 0.718 0.00 0.00 +0.023 C ATOM 30 C LIG 1 5.600 0.653 0.594 0.00 0.00 +0.021 C ATOM 31 C LIG 1 5.384 1.284 -0.783 0.00 0.00 +0.023 C ATOM 32 C LIG 1 3.897 1.536 -1.039 0.00 0.00 +0.085 C BRANCH 30 33 ATOM 33 C LIG 1 7.064 0.370 0.877 0.00 0.00 -0.044 A ATOM 34 C LIG 1 7.698 0.997 1.960 0.00 0.00 +0.004 A ATOM 35 C LIG 1 9.044 0.750 2.240 0.00 0.00 +0.000 A ATOM 36 C LIG 1 9.774 -0.126 1.441 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.159 -0.757 0.362 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.813 -0.511 0.082 0.00 0.00 +0.004 A ENDBRANCH 30 33 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5