REMARK Name = BDB001487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.563 0.286 -0.530 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -5.526 -0.570 -0.045 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -5.516 -1.860 0.762 0.00 0.00 -0.001 C ATOM 4 C LIG 1 -4.098 -2.551 0.654 0.00 0.00 +0.050 C ATOM 5 C LIG 1 -2.917 -1.623 0.566 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -3.022 -0.370 -0.002 0.00 0.00 +0.097 A ATOM 7 N LIG 1 -1.994 0.477 -0.173 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -0.788 0.048 0.235 0.00 0.00 +0.220 A ATOM 9 N LIG 1 -0.582 -1.161 0.783 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 -1.644 -1.974 0.932 0.00 0.00 +0.120 A ATOM 11 C LIG 1 -5.803 -1.550 2.245 0.00 0.00 +0.016 C ATOM 12 C LIG 1 -6.532 -2.896 0.247 0.00 0.00 +0.016 C ATOM 13 C LIG 1 -4.346 0.077 -0.389 0.00 0.00 +0.092 A ATOM 14 N LIG 1 -4.704 1.178 -1.108 0.00 0.00 -0.264 N ATOM 15 C LIG 1 -3.841 2.155 -1.729 0.00 0.00 +0.173 C ATOM 16 N LIG 1 -6.039 1.322 -1.226 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 -10.117 1.349 -0.992 0.00 0.00 +0.128 C ATOM 18 N LIG 1 -8.711 1.105 -1.145 0.00 0.00 -0.313 N ATOM 19 H LIG 1 -8.113 1.780 -1.617 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -8.028 0.205 -0.353 0.00 0.00 +0.264 C ATOM 21 O LIG 1 -8.585 -0.548 0.438 0.00 0.00 -0.268 OA ENDBRANCH 1 20 BRANCH 8 22 ATOM 22 N LIG 1 0.247 0.959 0.046 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -0.126 1.805 -0.355 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 1.619 0.948 0.321 0.00 0.00 +0.034 A ATOM 25 C LIG 1 2.376 2.084 -0.007 0.00 0.00 +0.023 A ATOM 26 C LIG 1 3.753 2.139 0.236 0.00 0.00 +0.007 A ATOM 27 C LIG 1 4.417 1.052 0.811 0.00 0.00 -0.033 A ATOM 28 C LIG 1 3.672 -0.084 1.142 0.00 0.00 +0.007 A ATOM 29 C LIG 1 2.293 -0.132 0.897 0.00 0.00 +0.023 A BRANCH 27 30 ATOM 30 C LIG 1 5.906 1.111 1.083 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 6.712 1.349 -0.123 0.00 0.00 -0.296 NA ATOM 32 C LIG 1 6.580 0.238 -1.094 0.00 0.00 +0.100 C ATOM 33 C LIG 1 7.788 0.116 -2.049 0.00 0.00 +0.099 C ATOM 34 N LIG 1 9.075 -0.124 -1.365 0.00 0.00 -0.303 NA ATOM 35 C LIG 1 9.466 -1.530 -1.409 0.00 0.00 +0.105 C ATOM 36 C LIG 1 9.047 0.367 0.027 0.00 0.00 +0.099 C ATOM 37 C LIG 1 8.131 1.597 0.211 0.00 0.00 +0.100 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 5