REMARK Name = BDB010402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.369 1.778 1.052 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.695 0.998 0.133 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.649 1.054 0.438 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.687 1.836 1.584 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -1.809 2.159 2.245 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.899 1.647 1.660 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.963 0.888 0.551 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.834 0.552 -0.101 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.552 2.252 1.962 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.180 1.957 2.333 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.171 2.720 3.440 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.368 3.126 3.892 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.442 2.840 3.840 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.832 3.462 4.815 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.241 2.143 2.967 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.366 1.573 1.986 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 2.715 1.968 0.985 0.00 0.00 -0.302 N ATOM 18 C LIG 1 3.398 1.927 2.283 0.00 0.00 +0.132 C BRANCH 17 19 ATOM 19 C LIG 1 3.148 3.090 0.118 0.00 0.00 +0.135 C BRANCH 19 20 ATOM 20 C LIG 1 2.787 4.485 0.656 0.00 0.00 +0.178 C BRANCH 20 22 ATOM 21 C LIG 1 2.240 5.811 -1.237 0.00 0.00 +0.194 C ATOM 22 O LIG 1 3.217 5.509 -0.249 0.00 0.00 -0.381 OA ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 8 23 ATOM 23 N LIG 1 -1.889 -0.225 -1.246 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -1.048 -0.756 -1.413 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.097 -0.974 -1.621 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.248 -0.059 -2.030 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -3.533 -1.986 -0.562 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.463 -3.137 -1.040 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -3.703 -4.059 -0.066 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -2.506 -3.098 -0.204 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 1.312 0.236 -0.940 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 1.475 -1.264 -0.612 0.00 0.00 +0.009 C ATOM 33 C LIG 1 2.542 -1.490 0.478 0.00 0.00 +0.005 C ATOM 34 C LIG 1 3.109 -2.903 0.417 0.00 0.00 +0.003 C ATOM 35 C LIG 1 3.858 -3.147 -0.904 0.00 0.00 -0.014 C ATOM 36 C LIG 1 3.905 -4.643 -1.215 0.00 0.00 +0.007 C ATOM 37 C LIG 1 3.259 -2.346 -2.076 0.00 0.00 +0.003 C ATOM 38 C LIG 1 1.770 -2.079 -1.889 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 10