REMARK Name = BDB037012 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.548 -1.195 -3.104 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -1.194 -0.398 -2.170 0.00 0.00 +0.070 A ATOM 3 C LIG 1 -2.160 -0.749 -1.129 0.00 0.00 +0.256 C ATOM 4 N LIG 1 -2.386 0.387 -0.400 0.00 0.00 -0.222 N ATOM 5 C LIG 1 -1.746 1.464 -0.946 0.00 0.00 +0.255 C ATOM 6 O LIG 1 -1.785 2.634 -0.614 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 -2.660 -1.851 -1.000 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 -0.961 0.961 -2.071 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -0.101 1.624 -2.924 0.00 0.00 +0.014 A ATOM 10 C LIG 1 0.545 0.858 -3.896 0.00 0.00 +0.003 A ATOM 11 C LIG 1 0.329 -0.535 -3.980 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 -3.350 0.446 0.685 0.00 0.00 +0.171 C ATOM 13 C LIG 1 -4.648 1.086 0.186 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -4.985 1.130 -0.995 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -5.483 1.579 1.165 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -6.341 2.001 0.838 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -5.206 1.744 2.500 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -6.000 2.309 3.247 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -3.911 1.148 3.001 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -2.839 1.178 1.923 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 -0.711 -2.594 -3.137 0.00 0.00 -0.338 N ATOM 22 H LIG 1 -1.463 -2.854 -2.483 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 0.503 -3.340 -2.751 0.00 0.00 +0.160 C BRANCH 23 27 ATOM 24 N LIG 1 2.421 -2.339 0.172 0.00 0.00 -0.251 N ATOM 25 N LIG 1 1.213 -2.585 0.702 0.00 0.00 -0.065 NA ATOM 26 N LIG 1 0.418 -2.984 -0.281 0.00 0.00 -0.133 NA ATOM 27 C LIG 1 1.144 -2.990 -1.445 0.00 0.00 +0.100 A ATOM 28 C LIG 1 2.436 -2.596 -1.168 0.00 0.00 +0.135 A BRANCH 24 29 ATOM 29 C LIG 1 3.524 -1.903 1.004 0.00 0.00 +0.154 C BRANCH 29 31 ATOM 30 C LIG 1 5.293 -0.156 1.395 0.00 0.00 +0.016 C ATOM 31 C LIG 1 3.945 -0.451 0.731 0.00 0.00 +0.056 C BRANCH 31 32 ATOM 32 C LIG 1 2.900 0.530 1.222 0.00 0.00 +0.046 A ATOM 33 N LIG 1 2.617 0.517 2.547 0.00 0.00 -0.260 NA ATOM 34 C LIG 1 1.689 1.391 2.995 0.00 0.00 +0.111 A ATOM 35 C LIG 1 1.029 2.296 2.183 0.00 0.00 +0.020 A ATOM 36 C LIG 1 1.336 2.304 0.829 0.00 0.00 +0.003 A ATOM 37 C LIG 1 2.279 1.407 0.336 0.00 0.00 +0.023 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 24 29 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 7