REMARK Name = BDB034507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.177 1.181 1.821 0.00 0.00 +0.160 A ATOM 2 N LIG 1 -0.747 0.887 3.046 0.00 0.00 -0.157 NA ATOM 3 N LIG 1 0.581 0.746 2.893 0.00 0.00 -0.275 N ATOM 4 H LIG 1 1.130 0.487 3.705 0.00 0.00 +0.189 HD ATOM 5 C LIG 1 1.026 0.957 1.613 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -0.119 1.255 0.899 0.00 0.00 +0.074 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 2.422 0.838 1.193 0.00 0.00 +0.004 A ATOM 8 C LIG 1 2.727 0.442 -0.118 0.00 0.00 +0.059 A ATOM 9 C LIG 1 4.055 0.316 -0.547 0.00 0.00 +0.162 A ATOM 10 C LIG 1 5.104 0.587 0.351 0.00 0.00 +0.162 A ATOM 11 C LIG 1 4.804 0.988 1.656 0.00 0.00 +0.050 A ATOM 12 C LIG 1 3.474 1.114 2.072 0.00 0.00 +0.014 A BRANCH 9 13 ATOM 13 O LIG 1 4.426 -0.074 -1.810 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 3.400 -0.216 -2.783 0.00 0.00 +0.277 C ENDBRANCH 9 13 BRANCH 10 15 ATOM 15 O LIG 1 6.376 0.435 -0.141 0.00 0.00 -0.491 OA ATOM 16 C LIG 1 7.461 0.733 0.726 0.00 0.00 +0.277 C ENDBRANCH 10 15 ENDBRANCH 5 7 BRANCH 1 17 ATOM 17 N LIG 1 -2.526 1.371 1.625 0.00 0.00 -0.198 N ATOM 18 H LIG 1 -3.116 1.314 2.448 0.00 0.00 +0.175 HD BRANCH 17 19 ATOM 19 S LIG 1 -3.302 1.294 0.153 0.00 0.00 +0.077 S ATOM 20 O LIG 1 -2.692 2.265 -0.731 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 -4.723 1.382 0.422 0.00 0.00 -0.150 OA BRANCH 19 23 ATOM 22 C LIG 1 -3.553 -1.494 0.254 0.00 0.00 -0.017 A ATOM 23 C LIG 1 -2.968 -0.380 -0.402 0.00 0.00 +0.153 A ATOM 24 C LIG 1 -2.131 -0.601 -1.510 0.00 0.00 +0.147 A ATOM 25 C LIG 1 -1.833 -1.900 -1.936 0.00 0.00 +0.047 A ATOM 26 C LIG 1 -2.399 -2.993 -1.295 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -3.254 -2.791 -0.216 0.00 0.00 +0.006 A BRANCH 22 29 ATOM 28 C LIG 1 -5.959 -1.566 1.004 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -4.504 -1.417 1.430 0.00 0.00 +0.034 C ENDBRANCH 22 29 BRANCH 24 30 ATOM 30 O LIG 1 -1.488 0.410 -2.172 0.00 0.00 -0.493 OA ATOM 31 C LIG 1 -2.176 0.739 -3.383 0.00 0.00 +0.277 C ENDBRANCH 24 30 ENDBRANCH 19 23 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 8