REMARK Name = BDB028330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.465 2.577 1.371 0.00 0.00 +0.078 A ATOM 2 N LIG 1 -0.439 3.852 1.898 0.00 0.00 -0.266 N ATOM 3 C LIG 1 0.490 4.914 1.585 0.00 0.00 +0.173 C ATOM 4 N LIG 1 -1.401 4.080 2.810 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 -2.022 2.906 2.920 0.00 0.00 +0.143 A ATOM 6 C LIG 1 -1.498 1.933 2.041 0.00 0.00 +0.027 A ENDROOT BRANCH 6 7 ATOM 7 C LIG 1 -1.888 0.546 1.864 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -2.144 0.031 0.585 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -2.488 -1.318 0.421 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -2.601 -2.139 1.539 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -2.980 -3.550 1.356 0.00 0.00 +0.272 A ATOM 12 N LIG 1 -3.186 -3.956 0.060 0.00 0.00 -0.242 N ATOM 13 H LIG 1 -3.446 -4.928 -0.084 0.00 0.00 +0.192 HD ATOM 14 N LIG 1 -3.063 -3.185 -1.054 0.00 0.00 -0.174 NA ATOM 15 O LIG 1 -3.105 -4.308 2.310 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -2.361 -1.632 2.820 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -2.731 -1.933 -0.907 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -2.002 -0.292 2.980 0.00 0.00 +0.009 A BRANCH 17 19 ATOM 19 C LIG 1 -2.575 -1.057 -2.154 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -2.797 -1.835 -3.379 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -2.176 -2.648 -3.343 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -3.726 -2.259 -3.308 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 7 BRANCH 1 25 ATOM 23 C LIG 1 2.331 0.686 -0.388 0.00 0.00 +0.138 A ATOM 24 C LIG 1 1.489 1.157 0.641 0.00 0.00 +0.102 A ATOM 25 C LIG 1 0.472 2.092 0.352 0.00 0.00 +0.022 A ATOM 26 C LIG 1 0.314 2.550 -0.964 0.00 0.00 +0.011 A ATOM 27 C LIG 1 1.147 2.085 -1.978 0.00 0.00 +0.004 A ATOM 28 C LIG 1 2.148 1.156 -1.692 0.00 0.00 +0.047 A BRANCH 24 29 ATOM 29 C LIG 1 1.680 0.682 1.986 0.00 0.00 +0.103 C ATOM 30 N LIG 1 1.821 0.313 3.078 0.00 0.00 -0.191 NA ENDBRANCH 24 29 BRANCH 23 31 ATOM 31 O LIG 1 3.281 -0.228 -0.016 0.00 0.00 -0.491 OA BRANCH 31 32 ATOM 32 C LIG 1 4.198 -0.744 -0.981 0.00 0.00 +0.229 C BRANCH 32 34 ATOM 33 C LIG 1 4.577 -2.546 -2.701 0.00 0.00 +0.007 C ATOM 34 C LIG 1 3.601 -1.950 -1.702 0.00 0.00 +0.038 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 23 31 ENDBRANCH 1 25 TORSDOF 8