REMARK Name = BDB010537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.083 0.571 0.593 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.601 1.766 0.540 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -0.585 2.214 1.853 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.198 3.329 2.279 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -1.839 3.979 1.302 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -1.895 3.641 -0.005 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 0.151 1.398 2.658 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.252 2.526 -0.421 0.00 0.00 +0.101 A ATOM 9 C LIG 1 0.593 0.446 1.872 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.556 5.210 1.698 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -3.204 5.862 0.697 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -3.767 6.934 1.314 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -4.446 7.791 0.778 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -3.419 6.847 2.632 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -3.686 7.500 3.356 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -2.650 5.754 2.877 0.00 0.00 -0.127 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.286 2.255 -1.852 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -2.499 1.955 -2.492 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -2.533 1.699 -3.862 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 -4.026 1.300 -4.619 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 -1.367 1.755 -4.622 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -0.159 2.078 -4.008 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -0.121 2.332 -2.634 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 N LIG 1 1.438 -0.566 2.207 0.00 0.00 -0.289 N ATOM 25 C LIG 1 2.878 -0.154 2.260 0.00 0.00 +0.132 C ATOM 26 C LIG 1 3.666 -0.902 3.376 0.00 0.00 +0.187 C ATOM 27 O LIG 1 3.342 -2.293 3.498 0.00 0.00 -0.376 OA ATOM 28 C LIG 1 1.930 -2.539 3.584 0.00 0.00 +0.179 C ATOM 29 C LIG 1 1.042 -1.296 3.427 0.00 0.00 +0.136 C BRANCH 25 30 ATOM 30 C LIG 1 3.501 -0.324 0.878 0.00 0.00 -0.025 A ATOM 31 C LIG 1 3.811 -1.588 0.354 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.347 -1.716 -0.928 0.00 0.00 +0.000 A ATOM 33 C LIG 1 4.577 -0.584 -1.707 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.270 0.678 -1.205 0.00 0.00 +0.000 A ATOM 35 C LIG 1 3.733 0.809 0.077 0.00 0.00 +0.005 A ENDBRANCH 25 30 ENDBRANCH 9 24 BRANCH 1 36 ATOM 36 C LIG 1 0.225 -0.414 -0.465 0.00 0.00 +0.128 C BRANCH 36 41 ATOM 37 C LIG 1 -2.606 -5.124 -0.958 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -1.419 -4.185 -1.183 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -0.958 -3.536 0.136 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -1.524 -2.131 0.310 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -1.070 -1.176 -0.814 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -0.870 -1.917 -2.152 0.00 0.00 +0.005 C ATOM 43 C LIG 1 -1.766 -3.144 -2.262 0.00 0.00 +0.003 C ENDBRANCH 36 41 ENDBRANCH 1 36 TORSDOF 6