REMARK Name = BDB010444 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.899 -1.025 -0.463 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.559 -1.104 -0.093 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.119 -2.178 0.662 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.214 -2.095 0.931 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.639 -1.031 0.292 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.904 -3.183 1.078 0.00 0.00 -0.208 NA ATOM 7 C LIG 1 -2.172 -3.067 0.674 0.00 0.00 +0.164 A ATOM 8 N LIG 1 0.577 -0.340 -0.266 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.684 -2.053 -0.069 0.00 0.00 -0.212 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.919 -0.585 0.239 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.682 -0.573 -1.027 0.00 0.00 +0.132 C ATOM 12 C LIG 1 4.700 0.600 -0.889 0.00 0.00 +0.187 C ATOM 13 O LIG 1 5.467 0.647 0.329 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 5.218 -0.439 1.227 0.00 0.00 +0.179 C ATOM 15 C LIG 1 3.730 -0.750 1.456 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 4.262 -1.937 -1.426 0.00 0.00 -0.025 A ATOM 17 C LIG 1 3.405 -3.039 -1.602 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.890 -4.287 -2.003 0.00 0.00 +0.000 A ATOM 19 C LIG 1 5.246 -4.460 -2.255 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.114 -3.384 -2.108 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.627 -2.136 -1.704 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 C LIG 1 -3.165 -4.161 1.074 0.00 0.00 +0.120 C ATOM 23 C LIG 1 -2.743 -5.510 0.492 0.00 0.00 +0.049 C ATOM 24 C LIG 1 -3.301 -4.234 2.595 0.00 0.00 +0.049 C BRANCH 22 25 ATOM 25 O LIG 1 -4.479 -3.871 0.549 0.00 0.00 -0.381 OA ATOM 26 H LIG 1 -4.367 -3.042 0.039 0.00 0.00 +0.211 HD ENDBRANCH 22 25 ENDBRANCH 7 22 BRANCH 1 27 ATOM 27 N LIG 1 -2.441 0.009 -1.214 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -1.966 0.892 -1.106 0.00 0.00 +0.148 HD BRANCH 27 30 ATOM 29 C LIG 1 -4.220 0.954 -2.540 0.00 0.00 +0.028 C ATOM 30 C LIG 1 -3.899 0.136 -1.287 0.00 0.00 +0.072 C BRANCH 30 31 ATOM 31 C LIG 1 -4.455 0.766 -0.003 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -4.099 2.231 0.382 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -5.489 2.313 1.049 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -5.946 1.207 0.074 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 8 35 ATOM 35 C LIG 1 0.627 0.994 -0.837 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 0.133 2.094 0.127 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.137 3.410 -0.633 0.00 0.00 +0.005 C ATOM 38 C LIG 1 1.042 4.376 -0.553 0.00 0.00 +0.003 C ATOM 39 C LIG 1 1.368 4.774 0.898 0.00 0.00 -0.014 C ATOM 40 C LIG 1 0.708 6.102 1.275 0.00 0.00 +0.007 C ATOM 41 C LIG 1 0.978 3.683 1.910 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.113 2.293 1.301 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 9