REMARK Name = BDB035242 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.377 1.192 -2.337 0.00 0.00 +0.020 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.874 1.085 -1.993 0.00 0.00 +0.037 C BRANCH 2 13 ATOM 3 C LIG 1 -9.404 -2.252 -0.273 0.00 0.00 +0.086 C ATOM 4 C LIG 1 -8.165 -1.622 -0.866 0.00 0.00 +0.111 A ATOM 5 N LIG 1 -7.525 -0.606 -0.187 0.00 0.00 -0.284 N ATOM 6 C LIG 1 -6.522 0.124 -0.832 0.00 0.00 +0.263 A ATOM 7 O LIG 1 -6.209 1.257 -0.473 0.00 0.00 -0.267 OA ATOM 8 C LIG 1 -5.896 -0.493 -2.029 0.00 0.00 +0.068 A ATOM 9 C LIG 1 -6.600 -1.569 -2.578 0.00 0.00 +0.078 A ATOM 10 C LIG 1 -6.143 -2.162 -3.755 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -4.997 -1.690 -4.384 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -4.280 -0.635 -3.821 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -4.687 -0.036 -2.615 0.00 0.00 -0.033 A ATOM 14 N LIG 1 -7.759 -2.093 -1.998 0.00 0.00 -0.234 NA BRANCH 5 15 ATOM 15 C LIG 1 -8.027 -0.062 1.088 0.00 0.00 +0.178 C ATOM 16 C LIG 1 -8.849 1.211 0.844 0.00 0.00 +0.242 C ATOM 17 O LIG 1 -9.562 1.373 -0.145 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 -8.858 2.132 1.867 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -9.413 2.962 1.705 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -8.335 1.996 3.128 0.00 0.00 +0.219 C ATOM 21 O LIG 1 -8.553 2.835 3.998 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -7.575 0.722 3.413 0.00 0.00 +0.099 C ATOM 23 C LIG 1 -6.941 0.161 2.149 0.00 0.00 +0.044 C ENDBRANCH 5 15 ENDBRANCH 2 13 ENDBRANCH 1 2 BRANCH 1 24 ATOM 24 C LIG 1 -1.517 0.011 -1.851 0.00 0.00 +0.085 C BRANCH 24 25 ATOM 25 N LIG 1 -1.621 -0.284 -0.410 0.00 0.00 -0.300 NA ATOM 26 C LIG 1 -0.866 -1.518 -0.078 0.00 0.00 +0.100 C ATOM 27 C LIG 1 0.580 -1.325 0.459 0.00 0.00 +0.100 C ATOM 28 N LIG 1 1.222 -0.099 -0.039 0.00 0.00 -0.300 NA ATOM 29 C LIG 1 0.413 1.082 0.330 0.00 0.00 +0.100 C ATOM 30 C LIG 1 -1.113 0.813 0.436 0.00 0.00 +0.100 C BRANCH 28 31 ATOM 31 C LIG 1 2.618 -0.002 0.417 0.00 0.00 +0.086 C BRANCH 31 32 ATOM 32 C LIG 1 3.384 1.137 -0.272 0.00 0.00 +0.030 C BRANCH 32 33 ATOM 33 C LIG 1 4.841 1.242 0.201 0.00 0.00 +0.082 C BRANCH 33 34 ATOM 34 N LIG 1 5.600 0.046 -0.158 0.00 0.00 -0.310 NA ATOM 35 H LIG 1 5.497 -0.130 -1.158 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 7.030 0.048 0.191 0.00 0.00 +0.020 C ATOM 37 C LIG 1 7.835 1.093 -0.624 0.00 0.00 +0.025 C ATOM 38 C LIG 1 9.337 0.989 -0.302 0.00 0.00 -0.009 C ATOM 39 C LIG 1 9.553 1.231 1.202 0.00 0.00 +0.007 C ATOM 40 C LIG 1 8.787 0.179 2.021 0.00 0.00 -0.009 C ATOM 41 C LIG 1 9.292 -1.223 1.645 0.00 0.00 +0.007 C ATOM 42 C LIG 1 9.073 -1.473 0.146 0.00 0.00 -0.009 C ATOM 43 C LIG 1 9.839 -0.417 -0.665 0.00 0.00 +0.007 C ATOM 44 C LIG 1 7.284 0.283 1.702 0.00 0.00 +0.025 C ATOM 45 C LIG 1 7.572 -1.362 -0.172 0.00 0.00 +0.025 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 10