REMARK Name = BDB039342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.550 -5.264 -1.040 0.00 0.00 +0.150 C ATOM 2 N LIG 1 1.548 -4.243 -1.253 0.00 0.00 -0.335 N ATOM 3 C LIG 1 1.324 -2.899 -1.095 0.00 0.00 +0.141 A ATOM 4 C LIG 1 2.512 -2.233 -1.380 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.518 -0.827 -1.280 0.00 0.00 -0.021 A ATOM 6 C LIG 1 1.304 -0.230 -0.888 0.00 0.00 +0.034 A ATOM 7 C LIG 1 0.171 -1.003 -0.616 0.00 0.00 +0.074 A ATOM 8 C LIG 1 3.468 -3.232 -1.720 0.00 0.00 +0.029 A ATOM 9 N LIG 1 0.150 -2.353 -0.725 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 2.846 -4.460 -1.633 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.110 -0.393 -0.194 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.336 -0.934 -0.643 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -3.528 -0.354 -0.242 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -4.931 -0.718 -0.591 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -5.713 0.209 0.216 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -4.911 1.149 0.847 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -5.248 2.132 1.478 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -3.520 0.753 0.599 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -2.354 1.320 1.070 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -1.147 0.735 0.670 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -7.152 0.351 0.027 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -7.471 1.391 -1.058 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -6.741 1.611 -2.024 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -8.701 2.001 -0.966 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -8.923 2.660 -1.700 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -9.702 1.748 -0.063 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -10.807 2.270 -0.180 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -9.403 0.731 1.015 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -7.914 0.667 1.314 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 3.725 0.038 -1.561 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 4.180 0.792 -0.380 0.00 0.00 -0.296 NA ATOM 32 C LIG 1 4.661 -0.123 0.685 0.00 0.00 +0.102 C ATOM 33 C LIG 1 5.622 0.553 1.680 0.00 0.00 +0.124 C ATOM 34 N LIG 1 6.852 1.013 0.982 0.00 0.00 -0.179 NA ATOM 35 C LIG 1 6.666 1.374 -0.448 0.00 0.00 +0.124 C ATOM 36 C LIG 1 5.211 1.788 -0.741 0.00 0.00 +0.102 C BRANCH 34 37 ATOM 37 S LIG 1 7.999 1.848 1.885 0.00 0.00 +0.029 S ATOM 38 O LIG 1 9.177 2.011 1.061 0.00 0.00 -0.158 OA ATOM 39 O LIG 1 8.075 1.230 3.191 0.00 0.00 -0.158 OA ATOM 40 C LIG 1 7.250 3.453 2.084 0.00 0.00 +0.215 C ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 5