REMARK Name = BDB032350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.772 -0.200 -0.070 0.00 0.00 +0.122 A ATOM 2 N LIG 1 -1.146 -1.380 0.124 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 0.117 -1.543 -0.336 0.00 0.00 +0.118 A ATOM 4 C LIG 1 0.842 -0.573 -1.014 0.00 0.00 -0.009 A ATOM 5 C LIG 1 0.222 0.669 -1.187 0.00 0.00 -0.041 A ATOM 6 C LIG 1 0.910 1.814 -1.875 0.00 0.00 +0.044 C ATOM 7 C LIG 1 -1.091 0.838 -0.712 0.00 0.00 +0.047 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 -4.006 0.875 -0.280 0.00 0.00 +0.143 C ATOM 9 N LIG 1 -3.077 -0.052 0.430 0.00 0.00 -0.303 N ATOM 10 C LIG 1 -3.633 -1.318 0.961 0.00 0.00 +0.129 C ATOM 11 C LIG 1 -5.042 -1.143 1.532 0.00 0.00 +0.144 C ATOM 12 N LIG 1 -5.893 -0.551 0.527 0.00 0.00 -0.305 N ATOM 13 C LIG 1 -7.202 -0.777 0.218 0.00 0.00 +0.238 A ATOM 14 N LIG 1 -7.509 -0.025 -0.826 0.00 0.00 -0.125 NA ATOM 15 N LIG 1 -6.390 0.693 -1.191 0.00 0.00 -0.132 NA ATOM 16 C LIG 1 -5.424 0.376 -0.358 0.00 0.00 +0.154 A BRANCH 13 17 ATOM 17 C LIG 1 -8.068 -1.720 0.964 0.00 0.00 +0.452 C ATOM 18 F LIG 1 -9.370 -1.676 0.593 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -8.029 -1.472 2.302 0.00 0.00 -0.163 F ATOM 20 F LIG 1 -7.652 -3.005 0.808 0.00 0.00 -0.163 F ENDBRANCH 13 17 BRANCH 8 22 ATOM 21 C LIG 1 -4.537 3.384 -0.361 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -3.995 2.230 0.474 0.00 0.00 +0.027 C ENDBRANCH 8 22 ENDBRANCH 1 9 BRANCH 4 23 ATOM 23 C LIG 1 2.244 -0.883 -1.469 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 3.167 -0.635 -0.370 0.00 0.00 -0.339 N ATOM 25 H LIG 1 2.929 0.217 0.131 0.00 0.00 +0.146 HD BRANCH 24 26 ATOM 26 C LIG 1 4.559 -0.736 -0.560 0.00 0.00 +0.035 A ATOM 27 C LIG 1 5.450 -0.320 0.482 0.00 0.00 +0.008 A ATOM 28 C LIG 1 6.853 -0.426 0.303 0.00 0.00 +0.023 A ATOM 29 C LIG 1 7.700 0.027 1.347 0.00 0.00 +0.124 A ATOM 30 N LIG 1 7.242 0.535 2.503 0.00 0.00 -0.240 NA ATOM 31 C LIG 1 5.912 0.598 2.668 0.00 0.00 +0.113 A ATOM 32 C LIG 1 7.343 -0.988 -0.896 0.00 0.00 +0.012 A ATOM 33 C LIG 1 6.478 -1.450 -1.881 0.00 0.00 +0.003 A ATOM 34 C LIG 1 4.998 0.194 1.712 0.00 0.00 +0.030 A ATOM 35 C LIG 1 5.103 -1.337 -1.706 0.00 0.00 +0.023 A BRANCH 29 36 ATOM 36 N LIG 1 9.099 -0.040 1.236 0.00 0.00 -0.343 N ATOM 37 H LIG 1 9.397 0.492 0.425 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 9.377 -1.008 1.117 0.00 0.00 +0.144 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 7