REMARK Name = BDB032338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.402 -0.443 -1.338 0.00 0.00 -0.009 A ATOM 2 C LIG 1 0.280 0.777 -1.474 0.00 0.00 -0.035 A ATOM 3 C LIG 1 1.663 0.765 -1.208 0.00 0.00 +0.048 A ATOM 4 C LIG 1 2.323 -0.391 -0.786 0.00 0.00 +0.122 A ATOM 5 N LIG 1 1.650 -1.545 -0.648 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 0.325 -1.551 -0.914 0.00 0.00 +0.118 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 3.708 -0.358 -0.545 0.00 0.00 -0.306 N ATOM 8 C LIG 1 4.295 -1.714 -0.378 0.00 0.00 +0.182 C ATOM 9 C LIG 1 5.742 -1.670 0.000 0.00 0.00 +0.151 A ATOM 10 N LIG 1 6.631 -2.637 0.040 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 7.821 -2.096 0.478 0.00 0.00 -0.125 NA ATOM 12 C LIG 1 7.636 -0.806 0.700 0.00 0.00 +0.238 A ATOM 13 N LIG 1 6.330 -0.511 0.424 0.00 0.00 -0.305 N ATOM 14 C LIG 1 5.641 0.761 0.491 0.00 0.00 +0.144 C ATOM 15 C LIG 1 4.115 0.580 0.517 0.00 0.00 +0.128 C BRANCH 12 16 ATOM 16 C LIG 1 8.616 0.201 1.167 0.00 0.00 +0.452 C ATOM 17 F LIG 1 8.295 0.668 2.404 0.00 0.00 -0.163 F ATOM 18 F LIG 1 8.636 1.291 0.351 0.00 0.00 -0.163 F ATOM 19 F LIG 1 9.888 -0.262 1.236 0.00 0.00 -0.163 F ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 2 20 ATOM 20 C LIG 1 -0.395 2.053 -1.935 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -1.439 2.715 -1.065 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -0.107 3.371 -1.252 0.00 0.00 +0.009 C ENDBRANCH 2 20 BRANCH 1 23 ATOM 23 C LIG 1 -1.873 -0.606 -1.621 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 -2.600 -0.676 -0.359 0.00 0.00 -0.339 N ATOM 25 H LIG 1 -2.260 0.019 0.300 0.00 0.00 +0.146 HD BRANCH 24 29 ATOM 26 C LIG 1 -6.786 -0.465 2.151 0.00 0.00 +0.124 A ATOM 27 C LIG 1 -6.129 -0.636 0.912 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -4.712 -0.593 0.894 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -4.010 -0.719 -0.348 0.00 0.00 +0.035 A ATOM 30 C LIG 1 -4.749 -0.991 -1.510 0.00 0.00 +0.023 A ATOM 31 C LIG 1 -6.139 -1.053 -1.488 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -4.061 -0.439 2.134 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -4.806 -0.307 3.293 0.00 0.00 +0.113 A ATOM 34 C LIG 1 -6.822 -0.865 -0.293 0.00 0.00 +0.012 A ATOM 35 N LIG 1 -6.150 -0.303 3.324 0.00 0.00 -0.240 NA BRANCH 26 36 ATOM 36 N LIG 1 -8.183 -0.459 2.253 0.00 0.00 -0.343 N ATOM 37 H LIG 1 -8.388 -0.290 3.235 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -8.578 0.265 1.664 0.00 0.00 +0.144 HD ENDBRANCH 26 36 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 7