REMARK Name = BDB044839 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.834 -1.636 -1.251 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.343 -2.741 -0.531 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.007 -2.732 -0.113 0.00 0.00 +0.067 A ATOM 4 C LIG 1 2.131 -1.690 -0.385 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.894 -2.079 0.215 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.000 -3.275 0.815 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 2.608 -0.591 -1.123 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.271 -3.643 0.592 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.579 -4.537 0.954 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.946 -0.587 -1.547 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 8.706 -0.466 -3.191 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 8.205 0.094 -2.230 0.00 0.00 +0.228 C ATOM 13 C LIG 1 7.250 -0.544 -1.247 0.00 0.00 +0.081 C ATOM 14 C LIG 1 6.266 -1.589 -1.733 0.00 0.00 +0.040 C ATOM 15 C LIG 1 7.409 -1.974 -0.816 0.00 0.00 +0.031 C ATOM 16 C LIG 1 6.960 0.550 -0.258 0.00 0.00 -0.011 A ATOM 17 C LIG 1 7.667 1.693 -0.667 0.00 0.00 +0.038 A ATOM 18 C LIG 1 7.635 2.893 0.012 0.00 0.00 +0.023 A ATOM 19 C LIG 1 6.855 2.950 1.167 0.00 0.00 +0.002 A ATOM 20 C LIG 1 6.144 1.820 1.607 0.00 0.00 +0.000 A ATOM 21 C LIG 1 6.197 0.614 0.898 0.00 0.00 +0.006 A ATOM 22 N LIG 1 8.387 1.405 -1.829 0.00 0.00 -0.284 N ATOM 23 H LIG 1 8.989 2.047 -2.321 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 -0.310 -1.298 0.186 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -1.473 -1.663 0.753 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 -2.696 -0.849 0.726 0.00 0.00 -0.025 A ATOM 27 C LIG 1 -3.102 -0.147 -0.415 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -4.287 0.595 -0.408 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.099 0.636 0.734 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.698 -0.077 1.871 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.512 -0.818 1.863 0.00 0.00 +0.008 A BRANCH 29 32 ATOM 32 C LIG 1 -6.376 1.451 0.744 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -7.300 1.105 -0.349 0.00 0.00 -0.294 NA ATOM 34 C LIG 1 -8.420 2.067 -0.431 0.00 0.00 +0.113 C ATOM 35 C LIG 1 -9.472 1.903 0.680 0.00 0.00 +0.175 C ATOM 36 O LIG 1 -9.987 0.567 0.720 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 -8.930 -0.384 0.894 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -7.870 -0.255 -0.213 0.00 0.00 +0.113 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5