REMARK Name = BDB011930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.672 1.053 0.396 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.465 1.124 -0.539 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.322 2.092 -1.294 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.458 0.081 -0.443 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.134 -1.194 0.142 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -1.155 -1.775 0.024 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -1.414 -3.031 0.603 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.414 -3.734 1.268 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.859 -3.191 1.357 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -2.187 -1.147 -0.743 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -3.069 -1.875 -1.561 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -4.240 -1.551 -1.754 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 1.128 -1.939 0.797 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -2.701 0.123 -0.230 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -2.549 -3.054 -2.310 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -1.278 -3.043 -2.899 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -0.827 -4.161 -3.606 0.00 0.00 +0.019 A ATOM 18 C LIG 1 -1.648 -5.287 -3.741 0.00 0.00 +0.052 A ATOM 19 C LIG 1 -2.929 -5.286 -3.176 0.00 0.00 +0.019 A ATOM 20 C LIG 1 -3.382 -4.169 -2.469 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 -1.180 -6.434 -4.463 0.00 0.00 +0.099 C ATOM 22 N LIG 1 -0.796 -7.364 -5.042 0.00 0.00 -0.191 NA ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 24 ATOM 23 C LIG 1 -3.082 2.735 1.560 0.00 0.00 +0.230 C ATOM 24 N LIG 1 -2.184 2.414 0.573 0.00 0.00 -0.301 N ATOM 25 H LIG 1 -1.816 3.121 -0.059 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 -3.545 1.875 2.310 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 C LIG 1 -3.521 4.223 1.602 0.00 0.00 +0.137 C ATOM 28 C LIG 1 -2.340 5.192 1.618 0.00 0.00 +0.034 C BRANCH 27 30 ATOM 29 C LIG 1 -3.853 4.521 4.031 0.00 0.00 +0.101 C ATOM 30 N LIG 1 -4.479 4.450 2.715 0.00 0.00 -0.309 NA ATOM 31 H LIG 1 -5.114 3.646 2.720 0.00 0.00 +0.122 HD ENDBRANCH 27 30 ENDBRANCH 23 27 ENDBRANCH 1 24 BRANCH 4 32 ATOM 32 C LIG 1 1.752 0.262 -1.121 0.00 0.00 +0.153 C BRANCH 32 33 ATOM 33 C LIG 1 2.961 0.550 -0.234 0.00 0.00 +0.020 A ATOM 34 C LIG 1 4.201 -0.151 -0.421 0.00 0.00 -0.010 A ATOM 35 C LIG 1 5.279 0.113 0.468 0.00 0.00 -0.017 A ATOM 36 C LIG 1 6.501 -0.568 0.337 0.00 0.00 +0.008 A ATOM 37 C LIG 1 6.696 -1.510 -0.669 0.00 0.00 +0.001 A ATOM 38 C LIG 1 5.669 -1.779 -1.559 0.00 0.00 +0.001 A ATOM 39 C LIG 1 5.135 1.054 1.492 0.00 0.00 +0.012 A ATOM 40 C LIG 1 3.954 1.768 1.640 0.00 0.00 +0.047 A ATOM 41 C LIG 1 4.446 -1.110 -1.438 0.00 0.00 +0.009 A ATOM 42 C LIG 1 2.893 1.546 0.763 0.00 0.00 +0.132 A BRANCH 42 43 ATOM 43 O LIG 1 1.744 2.269 0.942 0.00 0.00 -0.434 OA BRANCH 43 44 ATOM 44 C LIG 1 1.919 3.623 0.530 0.00 0.00 +0.541 C ATOM 45 F LIG 1 0.733 4.255 0.718 0.00 0.00 -0.166 F ATOM 46 F LIG 1 2.186 3.665 -0.798 0.00 0.00 -0.166 F ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 32 33 ENDBRANCH 4 32 TORSDOF 9