REMARK Name = BDB032535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.443 1.066 -0.213 0.00 0.00 -0.009 A ATOM 2 C LIG 1 -0.248 0.850 -1.398 0.00 0.00 +0.118 A ATOM 3 N LIG 1 -1.578 0.603 -1.483 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 -2.297 0.544 -0.344 0.00 0.00 +0.122 A ATOM 5 C LIG 1 -1.685 0.769 0.889 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.316 1.030 0.955 0.00 0.00 +0.010 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.679 0.295 -0.405 0.00 0.00 -0.306 N ATOM 8 C LIG 1 -4.212 0.349 -1.791 0.00 0.00 +0.182 C ATOM 9 C LIG 1 -5.653 -0.044 -1.869 0.00 0.00 +0.151 A ATOM 10 N LIG 1 -6.506 0.073 -2.862 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 -7.708 -0.461 -2.449 0.00 0.00 -0.125 NA ATOM 12 C LIG 1 -7.567 -0.896 -1.208 0.00 0.00 +0.238 A ATOM 13 N LIG 1 -6.277 -0.662 -0.820 0.00 0.00 -0.305 N ATOM 14 C LIG 1 -5.635 -0.933 0.449 0.00 0.00 +0.144 C ATOM 15 C LIG 1 -4.103 -0.912 0.327 0.00 0.00 +0.128 C BRANCH 12 16 ATOM 16 C LIG 1 -8.576 -1.534 -0.333 0.00 0.00 +0.452 C ATOM 17 F LIG 1 -8.659 -0.904 0.872 0.00 0.00 -0.163 F ATOM 18 F LIG 1 -9.826 -1.547 -0.856 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -8.247 -2.825 -0.056 0.00 0.00 -0.163 F ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 1 21 ATOM 20 N LIG 1 2.597 0.933 0.989 0.00 0.00 -0.322 N ATOM 21 C LIG 1 1.924 1.372 -0.249 0.00 0.00 +0.105 C ATOM 22 C LIG 1 2.192 2.889 -0.305 0.00 0.00 +0.029 C ATOM 23 C LIG 1 2.497 3.271 1.138 0.00 0.00 +0.021 C ATOM 24 C LIG 1 3.257 2.056 1.657 0.00 0.00 +0.106 C BRANCH 20 28 ATOM 25 C LIG 1 6.195 -2.151 -0.426 0.00 0.00 +0.124 A ATOM 26 C LIG 1 5.024 -1.883 0.319 0.00 0.00 +0.023 A ATOM 27 C LIG 1 4.451 -0.588 0.228 0.00 0.00 +0.008 A ATOM 28 C LIG 1 3.272 -0.292 0.980 0.00 0.00 +0.038 A ATOM 29 C LIG 1 2.710 -1.294 1.791 0.00 0.00 +0.024 A ATOM 30 C LIG 1 3.265 -2.564 1.869 0.00 0.00 +0.003 A ATOM 31 C LIG 1 5.099 0.333 -0.619 0.00 0.00 +0.030 A ATOM 32 C LIG 1 6.233 -0.042 -1.317 0.00 0.00 +0.113 A ATOM 33 C LIG 1 4.409 -2.855 1.137 0.00 0.00 +0.012 A ATOM 34 N LIG 1 6.792 -1.260 -1.237 0.00 0.00 -0.240 NA BRANCH 25 35 ATOM 35 N LIG 1 6.836 -3.394 -0.378 0.00 0.00 -0.343 N ATOM 36 H LIG 1 7.658 -3.307 -0.971 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 7.094 -3.622 0.576 0.00 0.00 +0.144 HD ENDBRANCH 25 35 ENDBRANCH 20 28 ENDBRANCH 1 21 TORSDOF 5