REMARK Name = BDB054560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.817 -3.627 -1.727 0.00 0.00 +0.067 C ATOM 2 C LIG 1 0.724 -2.639 -0.600 0.00 0.00 +0.057 A ATOM 3 N LIG 1 -0.564 -2.342 -0.182 0.00 0.00 -0.232 NA ATOM 4 C LIG 1 -0.758 -1.486 0.794 0.00 0.00 +0.167 A ATOM 5 C LIG 1 0.405 -0.870 1.417 0.00 0.00 +0.179 A ATOM 6 N LIG 1 1.669 -1.187 0.986 0.00 0.00 -0.295 N ATOM 7 C LIG 1 2.538 -0.453 1.764 0.00 0.00 +0.076 A ATOM 8 C LIG 1 1.720 0.270 2.618 0.00 0.00 +0.140 A ATOM 9 N LIG 1 0.392 0.006 2.399 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 1.823 -2.091 -0.047 0.00 0.00 +0.116 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 4.087 -0.392 1.754 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.963 -1.082 0.953 0.00 0.00 +0.118 A ATOM 13 N LIG 1 6.220 -0.687 1.328 0.00 0.00 -0.263 N ATOM 14 N LIG 1 6.215 0.234 2.321 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 4.914 0.400 2.581 0.00 0.00 +0.144 A BRANCH 13 16 ATOM 16 C LIG 1 7.486 -1.147 0.772 0.00 0.00 +0.217 C BRANCH 16 17 ATOM 17 C LIG 1 8.103 -0.102 -0.091 0.00 0.00 +0.130 A ATOM 18 N LIG 1 8.213 1.210 0.312 0.00 0.00 -0.340 N ATOM 19 H LIG 1 7.855 1.577 1.187 0.00 0.00 +0.167 HD ATOM 20 C LIG 1 8.830 1.916 -0.685 0.00 0.00 +0.066 A ATOM 21 C LIG 1 9.081 0.969 -1.671 0.00 0.00 +0.089 A ATOM 22 C LIG 1 9.719 1.365 -2.856 0.00 0.00 +0.030 A ATOM 23 C LIG 1 10.082 2.710 -3.005 0.00 0.00 +0.002 A ATOM 24 C LIG 1 9.814 3.640 -1.997 0.00 0.00 +0.002 A ATOM 25 C LIG 1 9.179 3.263 -0.808 0.00 0.00 +0.028 A ATOM 26 N LIG 1 8.629 -0.272 -1.289 0.00 0.00 -0.231 NA ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 11 BRANCH 4 27 ATOM 27 N LIG 1 -2.012 -1.135 1.267 0.00 0.00 -0.290 N ATOM 28 H LIG 1 -1.944 -0.457 2.023 0.00 0.00 +0.154 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.254 -1.537 0.891 0.00 0.00 +0.091 A ATOM 30 S LIG 1 -3.653 -2.664 -0.343 0.00 0.00 +0.027 S ATOM 31 N LIG 1 -5.295 -2.592 -0.151 0.00 0.00 -0.212 NA ATOM 32 C LIG 1 -5.584 -1.714 0.810 0.00 0.00 +0.066 A ATOM 33 C LIG 1 -4.447 -1.106 1.443 0.00 0.00 +0.057 A BRANCH 32 34 ATOM 34 C LIG 1 -7.026 -1.471 1.180 0.00 0.00 +0.140 C BRANCH 34 35 ATOM 35 N LIG 1 -7.708 -0.464 0.354 0.00 0.00 -0.296 NA ATOM 36 C LIG 1 -7.275 0.916 0.588 0.00 0.00 +0.088 C ATOM 37 C LIG 1 -7.574 1.867 -0.591 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -7.568 3.323 -0.133 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -8.899 1.496 -1.258 0.00 0.00 +0.006 C ATOM 40 C LIG 1 -8.892 0.039 -1.730 0.00 0.00 +0.016 C ATOM 41 C LIG 1 -7.812 -0.817 -1.057 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 27 29 ENDBRANCH 4 27 TORSDOF 7