REMARK Name = BDB031914 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.659 -2.350 -1.336 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.742 -2.030 -2.356 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.502 -1.490 -1.996 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.120 -1.268 -0.681 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.192 -0.702 -0.762 0.00 0.00 +0.152 A ATOM 6 N LIG 1 1.585 -0.587 -2.034 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -1.018 -1.614 0.345 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.563 -1.079 -2.747 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.651 -1.102 -3.756 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.266 -2.155 -0.000 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.930 1.453 0.020 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.593 0.341 -0.761 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.374 -0.805 -0.675 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.300 -2.153 -1.337 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.027 -2.910 -1.659 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.498 -2.896 -0.791 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.139 -2.043 0.089 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.976 -2.302 0.589 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.816 -4.035 -1.087 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.870 -2.310 -2.767 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.495 -0.807 0.171 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.865 0.274 0.939 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.064 1.415 0.856 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -2.990 2.669 -0.623 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.241 2.636 0.056 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.884 -0.347 0.345 0.00 0.00 -0.294 N ATOM 27 H LIG 1 1.460 -0.498 1.257 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 3.167 0.221 0.512 0.00 0.00 +0.093 A ATOM 29 C LIG 1 3.626 0.489 1.816 0.00 0.00 +0.145 A ATOM 30 C LIG 1 4.886 1.052 2.013 0.00 0.00 +0.078 A ATOM 31 C LIG 1 5.674 1.341 0.904 0.00 0.00 +0.103 A ATOM 32 N LIG 1 5.265 1.097 -0.364 0.00 0.00 -0.250 NA ATOM 33 C LIG 1 4.033 0.548 -0.527 0.00 0.00 +0.138 A BRANCH 31 34 ATOM 34 P LIG 1 7.283 2.057 1.135 0.00 0.00 +0.128 P ATOM 35 O LIG 1 7.694 2.323 2.565 0.00 0.00 -0.315 OA ATOM 36 C LIG 1 8.494 0.999 0.331 0.00 0.00 +0.087 C ATOM 37 C LIG 1 7.372 3.573 0.175 0.00 0.00 +0.087 C ENDBRANCH 31 34 BRANCH 29 38 ATOM 38 O LIG 1 2.746 0.156 2.823 0.00 0.00 -0.493 OA ATOM 39 C LIG 1 3.172 0.406 4.159 0.00 0.00 +0.277 C ENDBRANCH 29 38 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6