REMARK Name = BDB007610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.915 3.073 0.946 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.223 2.464 0.139 0.00 0.00 +0.244 C ATOM 3 N LIG 1 0.729 1.567 -0.776 0.00 0.00 -0.309 N ATOM 4 H LIG 1 0.105 1.039 -1.370 0.00 0.00 +0.149 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.246 2.683 0.098 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -2.137 1.629 -0.157 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -3.510 1.872 -0.183 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -3.985 3.167 0.051 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -3.102 4.213 0.326 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -1.731 3.970 0.357 0.00 0.00 +0.013 A BRANCH 7 11 ATOM 11 O LIG 1 -4.487 0.945 -0.419 0.00 0.00 -0.491 OA BRANCH 11 12 ATOM 12 C LIG 1 -4.079 -0.420 -0.554 0.00 0.00 +0.244 C BRANCH 12 13 ATOM 13 C LIG 1 -5.322 -1.313 -0.741 0.00 0.00 +0.125 C BRANCH 13 14 ATOM 14 N LIG 1 -5.997 -1.692 0.516 0.00 0.00 -0.295 NA ATOM 15 C LIG 1 -6.503 -0.512 1.255 0.00 0.00 +0.112 C ATOM 16 C LIG 1 -7.639 -0.886 2.220 0.00 0.00 +0.175 C ATOM 17 O LIG 1 -8.800 -1.388 1.543 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 -8.489 -2.033 0.300 0.00 0.00 +0.175 C ATOM 19 C LIG 1 -7.088 -2.664 0.283 0.00 0.00 +0.112 C ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 7 11 ENDBRANCH 2 5 BRANCH 3 20 ATOM 20 C LIG 1 2.100 1.090 -0.688 0.00 0.00 +0.137 C BRANCH 20 21 ATOM 21 C LIG 1 2.190 -0.138 0.226 0.00 0.00 +0.145 C BRANCH 21 22 ATOM 22 O LIG 1 1.510 -1.238 -0.415 0.00 0.00 -0.389 OA ATOM 23 H LIG 1 2.208 -1.671 -0.950 0.00 0.00 +0.210 HD ENDBRANCH 21 22 BRANCH 21 24 ATOM 24 C LIG 1 3.636 -0.574 0.550 0.00 0.00 +0.117 C BRANCH 24 25 ATOM 25 N LIG 1 4.292 -1.192 -0.628 0.00 0.00 -0.295 NA ATOM 26 C LIG 1 5.201 -0.250 -1.319 0.00 0.00 +0.120 C ATOM 27 C LIG 1 6.528 -0.006 -0.630 0.00 0.00 -0.030 A ATOM 28 C LIG 1 7.046 -0.931 0.293 0.00 0.00 -0.042 A ATOM 29 C LIG 1 8.291 -0.694 0.892 0.00 0.00 +0.004 A ATOM 30 C LIG 1 9.028 0.442 0.560 0.00 0.00 +0.000 A ATOM 31 C LIG 1 8.526 1.351 -0.368 0.00 0.00 +0.000 A ATOM 32 C LIG 1 6.240 -2.141 0.687 0.00 0.00 +0.051 C ATOM 33 C LIG 1 7.284 1.128 -0.964 0.00 0.00 +0.005 A ATOM 34 C LIG 1 5.062 -2.399 -0.264 0.00 0.00 +0.089 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 10