REMARK Name = BDB053510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.173 0.930 -0.957 0.00 0.00 +0.094 A ATOM 2 N LIG 1 3.032 0.065 -1.975 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 1.721 -0.203 -2.013 0.00 0.00 -0.263 N ATOM 4 H LIG 1 1.393 -0.846 -2.723 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 0.989 0.447 -1.060 0.00 0.00 +0.121 A ATOM 6 C LIG 1 1.908 1.192 -0.358 0.00 0.00 +0.073 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 6.916 1.381 -0.705 0.00 0.00 +0.048 A ATOM 8 C LIG 1 5.665 0.876 -1.063 0.00 0.00 +0.034 A ATOM 9 C LIG 1 4.485 1.473 -0.585 0.00 0.00 +0.004 A ATOM 10 C LIG 1 4.588 2.597 0.248 0.00 0.00 +0.010 A ATOM 11 C LIG 1 5.838 3.118 0.588 0.00 0.00 +0.002 A ATOM 12 C LIG 1 6.999 2.514 0.106 0.00 0.00 +0.024 A BRANCH 7 13 ATOM 13 N LIG 1 8.131 0.814 -1.174 0.00 0.00 -0.220 N ATOM 14 H LIG 1 8.951 1.415 -1.238 0.00 0.00 +0.173 HD BRANCH 13 15 ATOM 15 S LIG 1 8.502 -0.814 -1.069 0.00 0.00 +0.045 S ATOM 16 O LIG 1 7.394 -1.623 -1.524 0.00 0.00 -0.155 OA ATOM 17 O LIG 1 9.799 -0.919 -1.710 0.00 0.00 -0.155 OA BRANCH 15 19 ATOM 18 C LIG 1 9.562 -2.375 0.909 0.00 0.00 +0.033 C ATOM 19 C LIG 1 8.763 -1.087 0.705 0.00 0.00 +0.145 C ATOM 20 C LIG 1 7.457 -1.168 1.487 0.00 0.00 +0.033 C ENDBRANCH 15 19 ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 9 BRANCH 5 21 ATOM 21 N LIG 1 -0.379 0.284 -0.947 0.00 0.00 -0.267 N ATOM 22 H LIG 1 -0.852 -0.320 -1.607 0.00 0.00 +0.157 HD ATOM 23 C LIG 1 -1.138 0.987 -0.024 0.00 0.00 +0.249 C ATOM 24 O LIG 1 -0.736 1.853 0.745 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 -2.590 0.653 -0.027 0.00 0.00 +0.037 A ATOM 26 C LIG 1 -3.050 -0.647 -0.239 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -4.428 -0.910 -0.235 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -5.383 0.096 -0.014 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -4.885 1.389 0.217 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -3.512 1.669 0.217 0.00 0.00 +0.015 A BRANCH 28 31 ATOM 31 N LIG 1 -6.740 -0.176 -0.012 0.00 0.00 -0.327 N ATOM 32 C LIG 1 -7.294 -1.370 -0.675 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -8.752 -1.132 -1.135 0.00 0.00 +0.103 C ATOM 34 N LIG 1 -9.696 -0.696 -0.085 0.00 0.00 -0.302 NA ATOM 35 C LIG 1 -10.504 -1.804 0.416 0.00 0.00 +0.105 C ATOM 36 C LIG 1 -8.991 -0.022 1.027 0.00 0.00 +0.103 C ATOM 37 C LIG 1 -7.717 0.743 0.598 0.00 0.00 +0.120 C ENDBRANCH 28 31 ENDBRANCH 23 25 ENDBRANCH 5 21 TORSDOF 7