REMARK Name = BDB065358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.243 -1.643 -0.166 0.00 0.00 +0.004 A ATOM 2 C LIG 1 -3.159 -1.150 -1.104 0.00 0.00 +0.010 A ATOM 3 C LIG 1 -4.518 -1.045 -0.789 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -4.992 -1.429 0.473 0.00 0.00 -0.028 A ATOM 5 C LIG 1 -4.080 -1.922 1.413 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -2.722 -2.028 1.094 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 1.135 -1.685 -1.364 0.00 0.00 -0.251 N ATOM 8 N LIG 1 1.284 -2.277 -0.169 0.00 0.00 -0.065 NA ATOM 9 N LIG 1 0.088 -2.324 0.401 0.00 0.00 -0.130 NA ATOM 10 C LIG 1 -0.825 -1.764 -0.461 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -0.167 -1.354 -1.600 0.00 0.00 +0.138 A BRANCH 7 12 ATOM 12 C LIG 1 2.273 -1.482 -2.231 0.00 0.00 +0.145 C BRANCH 12 13 ATOM 13 C LIG 1 2.848 -0.066 -2.164 0.00 0.00 +0.023 C BRANCH 13 14 ATOM 14 C LIG 1 3.405 0.352 -0.798 0.00 0.00 +0.002 C BRANCH 14 15 ATOM 15 C LIG 1 4.589 -0.502 -0.338 0.00 0.00 +0.001 C BRANCH 15 16 ATOM 16 C LIG 1 5.157 0.009 0.991 0.00 0.00 +0.011 C BRANCH 16 17 ATOM 17 C LIG 1 6.307 -0.854 1.500 0.00 0.00 +0.120 C BRANCH 17 18 ATOM 18 C LIG 1 7.543 -0.706 0.651 0.00 0.00 +0.307 C ATOM 19 O LIG 1 7.896 -1.514 -0.198 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 8.189 0.455 0.950 0.00 0.00 -0.465 OA BRANCH 20 22 ATOM 21 C LIG 1 9.975 2.005 0.614 0.00 0.00 +0.048 C ATOM 22 C LIG 1 9.373 0.684 0.177 0.00 0.00 +0.229 C ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 1 10 BRANCH 4 23 ATOM 23 C LIG 1 -6.456 -1.302 0.812 0.00 0.00 +0.159 C BRANCH 23 24 ATOM 24 N LIG 1 -6.832 0.081 1.025 0.00 0.00 -0.310 N ATOM 25 C LIG 1 -7.510 0.879 0.146 0.00 0.00 +0.166 A ATOM 26 C LIG 1 -7.659 2.087 0.807 0.00 0.00 +0.147 A ATOM 27 C LIG 1 -8.330 3.107 0.112 0.00 0.00 +0.147 A ATOM 28 N LIG 1 -8.801 2.842 -1.128 0.00 0.00 -0.219 NA ATOM 29 C LIG 1 -8.579 1.616 -1.649 0.00 0.00 +0.225 A ATOM 30 N LIG 1 -7.107 2.028 2.072 0.00 0.00 -0.231 NA ATOM 31 N LIG 1 -7.942 0.568 -1.088 0.00 0.00 -0.216 NA ATOM 32 C LIG 1 -6.613 0.810 2.165 0.00 0.00 +0.202 A BRANCH 27 33 ATOM 33 N LIG 1 -8.554 4.371 0.644 0.00 0.00 -0.341 N ATOM 34 H LIG 1 -8.490 4.398 1.656 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 -9.338 4.835 0.207 0.00 0.00 +0.144 HD ENDBRANCH 27 33 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 13