REMARK Name = BDB035979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.981 -0.453 -0.055 0.00 0.00 +0.192 A ATOM 2 C LIG 1 -0.368 -0.213 0.283 0.00 0.00 +0.106 A ATOM 3 C LIG 1 -0.704 0.925 -0.425 0.00 0.00 +0.173 A ATOM 4 C LIG 1 -1.968 1.526 -0.401 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -2.970 0.923 0.397 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -2.640 -0.218 1.131 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -3.489 -1.083 1.992 0.00 0.00 +0.080 C ATOM 8 C LIG 1 -2.402 -1.911 2.680 0.00 0.00 +0.234 C ATOM 9 O LIG 1 -1.217 -1.917 1.852 0.00 0.00 -0.491 OA ATOM 10 O LIG 1 0.382 1.343 -1.128 0.00 0.00 -0.353 OA ATOM 11 C LIG 1 -1.363 -0.777 1.076 0.00 0.00 +0.138 A ATOM 12 N LIG 1 1.445 0.485 -0.887 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 1.728 -1.504 0.451 0.00 0.00 -0.196 N ATOM 14 H LIG 1 1.300 -2.160 1.101 0.00 0.00 +0.175 HD BRANCH 13 15 ATOM 15 S LIG 1 3.248 -1.935 -0.090 0.00 0.00 +0.077 S ATOM 16 O LIG 1 3.175 -2.073 -1.528 0.00 0.00 -0.150 OA ATOM 17 O LIG 1 3.643 -3.054 0.745 0.00 0.00 -0.150 OA BRANCH 15 19 ATOM 18 C LIG 1 5.207 -0.006 -0.481 0.00 0.00 +0.147 A ATOM 19 C LIG 1 4.270 -0.567 0.387 0.00 0.00 +0.150 A ATOM 20 C LIG 1 4.115 -0.044 1.682 0.00 0.00 +0.032 A ATOM 21 C LIG 1 4.888 1.040 2.098 0.00 0.00 +0.002 A ATOM 22 C LIG 1 5.827 1.596 1.231 0.00 0.00 +0.004 A ATOM 23 C LIG 1 5.994 1.067 -0.049 0.00 0.00 +0.047 A BRANCH 18 25 ATOM 24 C LIG 1 4.925 0.278 -2.749 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.464 -0.543 -1.711 0.00 0.00 -0.493 OA ENDBRANCH 18 25 ENDBRANCH 15 19 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 5 26 ATOM 26 C LIG 1 -4.358 1.518 0.419 0.00 0.00 +0.179 C BRANCH 26 27 ATOM 27 N LIG 1 -5.042 1.331 -0.853 0.00 0.00 -0.267 N ATOM 28 N LIG 1 -5.121 2.352 -1.733 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 -5.808 1.836 -2.755 0.00 0.00 +0.134 A ATOM 30 C LIG 1 -6.183 0.499 -2.528 0.00 0.00 +0.041 A ATOM 31 C LIG 1 -5.680 0.201 -1.284 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 6