REMARK Name = BDB058598 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.339 0.462 0.117 0.00 0.00 +0.089 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.491 0.496 -1.909 0.00 0.00 +0.022 C ATOM 3 C LIG 1 1.922 -0.813 -1.341 0.00 0.00 +0.023 C ATOM 4 C LIG 1 0.409 -0.707 -1.138 0.00 0.00 +0.085 C ATOM 5 N LIG 1 0.081 0.432 -0.275 0.00 0.00 -0.302 NA ATOM 6 C LIG 1 0.544 1.700 -0.845 0.00 0.00 +0.085 C ATOM 7 C LIG 1 2.062 1.684 -1.036 0.00 0.00 +0.023 C BRANCH 2 10 ATOM 8 C LIG 1 6.250 0.196 -1.185 0.00 0.00 +0.121 A ATOM 9 C LIG 1 4.867 0.251 -1.001 0.00 0.00 +0.049 A ATOM 10 C LIG 1 3.998 0.434 -2.093 0.00 0.00 -0.041 A ATOM 11 C LIG 1 4.547 0.561 -3.377 0.00 0.00 +0.004 A ATOM 12 C LIG 1 5.928 0.507 -3.566 0.00 0.00 +0.004 A ATOM 13 C LIG 1 6.773 0.326 -2.473 0.00 0.00 +0.045 A BRANCH 8 14 ATOM 14 O LIG 1 7.188 0.023 -0.205 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 6.712 -0.143 1.132 0.00 0.00 +0.232 C BRANCH 15 17 ATOM 16 C LIG 1 8.696 -1.608 1.709 0.00 0.00 +0.010 C ATOM 17 C LIG 1 7.916 -0.340 2.065 0.00 0.00 +0.020 C ATOM 18 C LIG 1 7.459 -0.391 3.522 0.00 0.00 +0.010 C ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 2 10 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -2.375 0.663 -1.004 0.00 0.00 +0.053 C BRANCH 19 20 ATOM 20 C LIG 1 -3.772 0.677 -0.482 0.00 0.00 -0.008 A ATOM 21 C LIG 1 -4.657 -0.373 -0.383 0.00 0.00 +0.120 A ATOM 22 N LIG 1 -5.838 0.111 0.164 0.00 0.00 -0.220 N ATOM 23 N LIG 1 -5.728 1.442 0.414 0.00 0.00 -0.173 NA ATOM 24 C LIG 1 -4.498 1.769 0.026 0.00 0.00 +0.138 A BRANCH 22 25 ATOM 25 C LIG 1 -7.006 -0.685 0.426 0.00 0.00 +0.180 A ATOM 26 C LIG 1 -8.172 -0.140 0.983 0.00 0.00 +0.122 A ATOM 27 C LIG 1 -9.229 -1.042 1.181 0.00 0.00 +0.070 A ATOM 28 C LIG 1 -10.484 -0.531 1.763 0.00 0.00 +0.259 A ATOM 29 N LIG 1 -10.503 0.803 2.063 0.00 0.00 -0.313 N ATOM 30 H LIG 1 -11.357 1.166 2.463 0.00 0.00 +0.170 HD ATOM 31 C LIG 1 -9.436 1.617 1.841 0.00 0.00 +0.200 A ATOM 32 O LIG 1 -11.449 -1.257 1.965 0.00 0.00 -0.267 OA ATOM 33 C LIG 1 -9.133 -2.393 0.849 0.00 0.00 +0.035 A ATOM 34 C LIG 1 -7.947 -2.829 0.309 0.00 0.00 +0.114 A ATOM 35 N LIG 1 -8.324 1.218 1.336 0.00 0.00 -0.233 NA ATOM 36 N LIG 1 -6.895 -2.017 0.093 0.00 0.00 -0.234 NA ENDBRANCH 22 25 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 8