REMARK Name = BDB007864 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.522 -0.026 0.261 0.00 0.00 -0.267 N ATOM 2 H LIG 1 0.367 0.738 -0.383 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 -0.585 -0.747 0.679 0.00 0.00 +0.309 C ATOM 4 N LIG 1 -1.752 -0.143 0.228 0.00 0.00 -0.254 N ATOM 5 H LIG 1 -1.678 0.784 -0.165 0.00 0.00 +0.158 HD ATOM 6 O LIG 1 -0.537 -1.777 1.338 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.632 -0.643 0.969 0.00 0.00 +0.131 A ATOM 8 C LIG 1 4.195 0.380 0.131 0.00 0.00 +0.086 A ATOM 9 C LIG 1 2.828 0.542 -0.074 0.00 0.00 +0.148 A ATOM 10 F LIG 1 2.409 1.524 -0.889 0.00 0.00 -0.203 F ATOM 11 C LIG 1 1.881 -0.286 0.545 0.00 0.00 +0.070 A ATOM 12 C LIG 1 2.335 -1.289 1.403 0.00 0.00 +0.030 A ATOM 13 C LIG 1 3.708 -1.462 1.619 0.00 0.00 +0.048 A BRANCH 7 14 ATOM 14 O LIG 1 5.962 -0.846 1.254 0.00 0.00 -0.456 OA BRANCH 14 19 ATOM 15 C LIG 1 8.965 -0.429 -0.722 0.00 0.00 +0.129 A ATOM 16 N LIG 1 8.714 -1.143 -1.849 0.00 0.00 -0.250 NA ATOM 17 C LIG 1 7.524 -1.772 -1.929 0.00 0.00 +0.115 A ATOM 18 C LIG 1 6.556 -1.710 -0.943 0.00 0.00 +0.066 A ATOM 19 C LIG 1 6.830 -0.948 0.190 0.00 0.00 +0.132 A ATOM 20 C LIG 1 8.059 -0.312 0.323 0.00 0.00 +0.079 A BRANCH 15 24 ATOM 21 C LIG 1 11.544 2.262 -0.028 0.00 0.00 +0.128 C ATOM 22 N LIG 1 10.330 1.484 -0.033 0.00 0.00 -0.313 N ATOM 23 H LIG 1 9.456 1.979 0.086 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 10.306 0.238 -0.646 0.00 0.00 +0.262 C ATOM 25 O LIG 1 11.308 -0.290 -1.117 0.00 0.00 -0.269 OA ENDBRANCH 15 24 ENDBRANCH 14 19 ENDBRANCH 7 14 ENDBRANCH 1 11 BRANCH 4 26 ATOM 26 C LIG 1 -3.028 -0.621 0.516 0.00 0.00 +0.130 A ATOM 27 N LIG 1 -4.212 -0.007 0.100 0.00 0.00 -0.218 N ATOM 28 N LIG 1 -5.283 -0.496 0.776 0.00 0.00 -0.169 NA ATOM 29 C LIG 1 -4.831 -1.580 1.417 0.00 0.00 +0.071 A ATOM 30 C LIG 1 -3.431 -1.703 1.270 0.00 0.00 +0.069 A BRANCH 27 31 ATOM 31 C LIG 1 -4.417 0.997 -0.893 0.00 0.00 +0.068 A ATOM 32 C LIG 1 -5.593 1.762 -0.860 0.00 0.00 +0.038 A ATOM 33 C LIG 1 -5.826 2.760 -1.823 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -4.888 2.992 -2.850 0.00 0.00 +0.071 A ATOM 35 N LIG 1 -5.065 3.936 -3.789 0.00 0.00 -0.255 NA ATOM 36 C LIG 1 -6.192 4.679 -3.735 0.00 0.00 +0.111 A ATOM 37 C LIG 1 -7.171 4.527 -2.771 0.00 0.00 +0.020 A ATOM 38 C LIG 1 -3.749 2.200 -2.885 0.00 0.00 +0.030 A ATOM 39 C LIG 1 -6.983 3.551 -1.800 0.00 0.00 +0.011 A ATOM 40 C LIG 1 -3.505 1.204 -1.930 0.00 0.00 +0.030 A ENDBRANCH 27 31 BRANCH 29 41 ATOM 41 C LIG 1 -5.790 -2.449 2.217 0.00 0.00 +0.006 C ATOM 42 C LIG 1 -7.015 -2.830 1.359 0.00 0.00 +0.017 C ATOM 43 C LIG 1 -6.272 -1.681 3.464 0.00 0.00 +0.017 C ATOM 44 C LIG 1 -5.122 -3.758 2.687 0.00 0.00 +0.017 C ENDBRANCH 29 41 ENDBRANCH 4 26 TORSDOF 7