REMARK Name = BDB035225 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.740 1.128 -1.083 0.00 0.00 -0.342 N ATOM 2 H LIG 1 3.416 0.354 -1.150 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 13 ATOM 3 C LIG 1 8.488 2.162 1.979 0.00 0.00 +0.086 C ATOM 4 C LIG 1 7.099 2.103 1.386 0.00 0.00 +0.111 A ATOM 5 N LIG 1 6.783 1.112 0.476 0.00 0.00 -0.284 N ATOM 6 C LIG 1 5.462 0.962 0.052 0.00 0.00 +0.264 A ATOM 7 O LIG 1 5.063 -0.048 -0.528 0.00 0.00 -0.267 OA ATOM 8 C LIG 1 4.506 2.044 0.376 0.00 0.00 +0.086 A ATOM 9 C LIG 1 4.973 3.026 1.250 0.00 0.00 +0.080 A ATOM 10 C LIG 1 4.120 4.064 1.629 0.00 0.00 +0.029 A ATOM 11 C LIG 1 2.823 4.127 1.129 0.00 0.00 +0.004 A ATOM 12 C LIG 1 2.367 3.146 0.246 0.00 0.00 +0.024 A ATOM 13 C LIG 1 3.184 2.071 -0.135 0.00 0.00 +0.042 A ATOM 14 N LIG 1 6.268 3.016 1.771 0.00 0.00 -0.234 NA BRANCH 5 15 ATOM 15 C LIG 1 7.747 0.076 0.050 0.00 0.00 +0.178 C ATOM 16 C LIG 1 7.416 -1.268 0.697 0.00 0.00 +0.242 C ATOM 17 O LIG 1 7.226 -1.387 1.908 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 7.344 -2.359 -0.130 0.00 0.00 -0.255 N ATOM 19 H LIG 1 7.109 -3.228 0.331 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 7.082 -2.354 -1.475 0.00 0.00 +0.219 C ATOM 21 O LIG 1 6.712 -3.383 -2.038 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 7.210 -1.043 -2.212 0.00 0.00 +0.099 C ATOM 23 C LIG 1 8.015 0.002 -1.457 0.00 0.00 +0.044 C ENDBRANCH 5 15 ENDBRANCH 1 13 BRANCH 1 24 ATOM 24 C LIG 1 1.369 0.606 -0.993 0.00 0.00 +0.117 C BRANCH 24 25 ATOM 25 C LIG 1 1.170 -0.285 0.255 0.00 0.00 +0.103 C BRANCH 25 26 ATOM 26 N LIG 1 -0.166 -0.900 0.342 0.00 0.00 -0.298 NA ATOM 27 C LIG 1 -0.415 -1.861 -0.754 0.00 0.00 +0.100 C ATOM 28 C LIG 1 -1.408 -3.002 -0.402 0.00 0.00 +0.100 C ATOM 29 N LIG 1 -2.452 -2.650 0.579 0.00 0.00 -0.300 NA ATOM 30 C LIG 1 -1.804 -2.122 1.806 0.00 0.00 +0.100 C ATOM 31 C LIG 1 -0.365 -1.560 1.641 0.00 0.00 +0.100 C BRANCH 29 32 ATOM 32 C LIG 1 -3.403 -1.678 0.002 0.00 0.00 +0.085 C BRANCH 32 33 ATOM 33 C LIG 1 -4.742 -1.702 0.762 0.00 0.00 +0.022 C BRANCH 33 34 ATOM 34 C LIG 1 -5.839 -0.747 0.225 0.00 0.00 -0.027 C ATOM 35 C LIG 1 -5.400 0.738 0.308 0.00 0.00 +0.010 C ATOM 36 C LIG 1 -6.530 1.667 -0.172 0.00 0.00 -0.010 C ATOM 37 C LIG 1 -7.770 1.462 0.712 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -8.242 0.003 0.623 0.00 0.00 -0.010 C ATOM 39 C LIG 1 -8.588 -0.335 -0.836 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -7.352 -0.139 -1.727 0.00 0.00 -0.010 C ATOM 41 C LIG 1 -6.883 1.323 -1.629 0.00 0.00 +0.007 C ATOM 42 C LIG 1 -7.112 -0.922 1.100 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -6.220 -1.065 -1.244 0.00 0.00 +0.010 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8