REMARK Name = BDB033692 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.610 -0.485 1.722 0.00 0.00 +0.237 A ATOM 2 C LIG 1 -0.207 -1.016 2.923 0.00 0.00 +0.131 A ATOM 3 C LIG 1 1.149 -1.178 3.052 0.00 0.00 +0.138 A ATOM 4 N LIG 1 2.035 -0.847 2.088 0.00 0.00 -0.221 NA ATOM 5 C LIG 1 1.553 -0.337 0.946 0.00 0.00 +0.223 A ATOM 6 N LIG 1 0.242 -0.140 0.732 0.00 0.00 -0.178 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -1.102 -1.378 3.966 0.00 0.00 +0.106 C ATOM 8 N LIG 1 -1.800 -1.684 4.842 0.00 0.00 -0.191 NA ENDBRANCH 2 7 BRANCH 5 9 ATOM 9 N LIG 1 2.383 0.041 -0.105 0.00 0.00 -0.284 N ATOM 10 H LIG 1 1.815 0.389 -0.864 0.00 0.00 +0.155 HD BRANCH 9 11 ATOM 11 C LIG 1 3.759 -0.050 -0.338 0.00 0.00 +0.034 A ATOM 12 C LIG 1 4.667 -0.634 0.555 0.00 0.00 +0.025 A ATOM 13 C LIG 1 6.038 -0.677 0.276 0.00 0.00 +0.030 A ATOM 14 C LIG 1 6.518 -0.115 -0.905 0.00 0.00 +0.105 A ATOM 15 C LIG 1 5.640 0.469 -1.816 0.00 0.00 +0.030 A ATOM 16 C LIG 1 4.273 0.503 -1.525 0.00 0.00 +0.025 A BRANCH 14 17 ATOM 17 S LIG 1 8.251 -0.166 -1.270 0.00 0.00 +0.056 S ATOM 18 O LIG 1 8.419 -0.114 -2.703 0.00 0.00 -0.153 OA ATOM 19 O LIG 1 8.865 -1.185 -0.450 0.00 0.00 -0.153 OA BRANCH 17 20 ATOM 20 N LIG 1 8.771 1.304 -0.633 0.00 0.00 -0.204 NA ATOM 21 H LIG 1 9.416 1.118 0.137 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 8.004 1.912 -0.348 0.00 0.00 +0.144 HD ENDBRANCH 17 20 ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 5 9 BRANCH 1 23 ATOM 23 O LIG 1 -1.965 -0.296 1.532 0.00 0.00 -0.475 OA BRANCH 23 24 ATOM 24 C LIG 1 -2.313 0.247 0.254 0.00 0.00 +0.237 C BRANCH 24 26 ATOM 25 C LIG 1 -4.315 1.393 1.249 0.00 0.00 +0.014 C ATOM 26 C LIG 1 -3.855 0.406 0.152 0.00 0.00 +0.002 C ATOM 27 C LIG 1 -4.543 -0.972 0.367 0.00 0.00 +0.010 C ATOM 28 C LIG 1 -5.689 -1.267 -0.605 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -6.528 -0.034 -0.900 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -5.701 1.099 -1.505 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -4.198 0.973 -1.243 0.00 0.00 +0.010 C ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8