REMARK Name = BDB008380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.578 1.410 0.724 0.00 0.00 +0.077 A ATOM 2 C LIG 1 -0.476 0.528 1.035 0.00 0.00 +0.144 A ATOM 3 C LIG 1 -1.434 0.901 1.984 0.00 0.00 +0.075 A ATOM 4 C LIG 1 -1.386 2.131 2.627 0.00 0.00 +0.075 A ATOM 5 C LIG 1 -0.338 3.014 2.307 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.299 4.254 2.961 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -1.278 4.576 3.892 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -2.267 3.643 4.138 0.00 0.00 +0.111 A ATOM 9 N LIG 1 -2.336 2.440 3.528 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 0.636 2.650 1.361 0.00 0.00 +0.037 A ENDROOT BRANCH 1 13 ATOM 11 O LIG 1 2.906 2.820 -0.462 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 2.608 1.663 -0.740 0.00 0.00 +0.251 C ATOM 13 N LIG 1 1.530 0.974 -0.226 0.00 0.00 -0.278 N ATOM 14 H LIG 1 1.379 0.023 -0.565 0.00 0.00 +0.155 HD BRANCH 12 15 ATOM 15 C LIG 1 3.422 0.906 -1.700 0.00 0.00 +0.070 A ATOM 16 C LIG 1 3.281 -0.469 -2.098 0.00 0.00 +0.093 A ATOM 17 C LIG 1 4.242 -0.854 -3.030 0.00 0.00 +0.056 A ATOM 18 C LIG 1 4.236 -2.158 -3.503 0.00 0.00 +0.129 A ATOM 19 N LIG 1 3.308 -3.022 -3.048 0.00 0.00 -0.243 NA ATOM 20 C LIG 1 2.422 -2.569 -2.149 0.00 0.00 +0.221 A ATOM 21 S LIG 1 5.296 0.434 -3.421 0.00 0.00 -0.093 S ATOM 22 N LIG 1 2.335 -1.333 -1.639 0.00 0.00 -0.234 NA ATOM 23 C LIG 1 4.492 1.495 -2.356 0.00 0.00 +0.061 A ENDBRANCH 12 15 ENDBRANCH 1 13 BRANCH 2 24 ATOM 24 O LIG 1 -0.467 -0.665 0.351 0.00 0.00 -0.487 OA BRANCH 24 25 ATOM 25 C LIG 1 -1.569 -1.554 0.507 0.00 0.00 +0.176 C ATOM 26 C LIG 1 -2.788 -1.139 -0.315 0.00 0.00 +0.075 C ATOM 27 C LIG 1 -3.580 -2.432 -0.423 0.00 0.00 +0.118 C ATOM 28 C LIG 1 -2.531 -3.537 -0.543 0.00 0.00 +0.035 C ATOM 29 C LIG 1 -1.206 -2.900 -0.124 0.00 0.00 +0.047 C BRANCH 27 30 ATOM 30 O LIG 1 -4.322 -2.613 0.778 0.00 0.00 -0.392 OA ATOM 31 H LIG 1 -4.865 -3.413 0.670 0.00 0.00 +0.210 HD ENDBRANCH 27 30 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 5