REMARK Name = BDB061355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.108 -0.437 0.667 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.743 0.406 -0.385 0.00 0.00 +0.027 A ATOM 3 C LIG 1 4.406 0.476 -0.753 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.812 1.273 -1.875 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.317 1.257 -1.516 0.00 0.00 +0.067 C ATOM 6 C LIG 1 2.084 -0.040 -0.727 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.916 0.056 0.218 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.804 0.785 1.192 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 0.006 -0.849 -0.220 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.470 -1.514 -1.299 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -0.127 -2.378 -1.922 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.737 -1.113 -1.603 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 3.427 -0.283 -0.102 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.773 -1.130 0.937 0.00 0.00 +0.010 A ATOM 15 C LIG 1 5.117 -1.196 1.323 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 10.965 0.190 1.004 0.00 0.00 +0.129 C ATOM 17 N LIG 1 9.669 -0.315 1.387 0.00 0.00 -0.302 N ATOM 18 H LIG 1 9.466 -0.304 2.375 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 8.578 -0.052 0.576 0.00 0.00 +0.304 C ATOM 20 N LIG 1 7.430 -0.570 1.136 0.00 0.00 -0.269 N ATOM 21 H LIG 1 7.582 -1.235 1.879 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 8.677 0.547 -0.486 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.340 -0.976 0.289 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.261 -0.033 -0.502 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.639 -0.103 -0.254 0.00 0.00 -0.291 N ATOM 26 C LIG 1 -4.251 -1.107 0.633 0.00 0.00 +0.080 C ATOM 27 C LIG 1 -5.366 -0.619 1.579 0.00 0.00 +0.027 C ATOM 28 C LIG 1 -6.548 0.106 0.944 0.00 0.00 +0.039 C ATOM 29 C LIG 1 -6.203 1.535 0.632 0.00 0.00 -0.024 A ATOM 30 C LIG 1 -5.208 1.854 -0.296 0.00 0.00 +0.062 A ATOM 31 N LIG 1 -4.860 3.137 -0.576 0.00 0.00 -0.258 NA ATOM 32 C LIG 1 -5.505 4.124 0.079 0.00 0.00 +0.111 A ATOM 33 C LIG 1 -6.503 3.901 1.007 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -6.856 2.587 1.285 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -4.497 0.767 -1.072 0.00 0.00 +0.163 C ATOM 36 O LIG 1 -1.776 0.753 -1.323 0.00 0.00 -0.274 OA BRANCH 26 37 ATOM 37 C LIG 1 -4.590 -2.423 -0.040 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -5.575 -2.607 -1.170 0.00 0.00 +0.006 C ATOM 39 C LIG 1 -4.106 -2.800 -1.423 0.00 0.00 +0.006 C ENDBRANCH 26 37 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4