REMARK Name = BDB052935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.677 0.776 0.559 0.00 0.00 -0.299 N ATOM 2 C LIG 1 -1.150 1.383 1.689 0.00 0.00 +0.153 A ATOM 3 C LIG 1 -0.494 1.864 2.854 0.00 0.00 +0.280 A ATOM 4 N LIG 1 -1.372 2.398 3.768 0.00 0.00 -0.273 N ATOM 5 H LIG 1 -0.981 2.746 4.628 0.00 0.00 +0.173 HD ATOM 6 C LIG 1 -2.745 2.516 3.640 0.00 0.00 +0.331 A ATOM 7 N LIG 1 -3.317 2.044 2.459 0.00 0.00 -0.280 N ATOM 8 C LIG 1 -4.751 2.131 2.259 0.00 0.00 +0.155 C ATOM 9 O LIG 1 -3.382 3.021 4.565 0.00 0.00 -0.246 OA ATOM 10 O LIG 1 0.716 1.826 3.040 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 -2.496 1.475 1.506 0.00 0.00 +0.170 A ATOM 12 N LIG 1 -2.880 0.945 0.310 0.00 0.00 -0.191 NA ATOM 13 C LIG 1 -1.761 0.518 -0.266 0.00 0.00 +0.252 A ENDROOT BRANCH 13 14 ATOM 14 N LIG 1 -1.567 -0.062 -1.478 0.00 0.00 -0.115 NA ATOM 15 N LIG 1 -2.300 -0.957 -1.952 0.00 0.00 -0.179 NA BRANCH 15 16 ATOM 16 C LIG 1 -3.340 -1.645 -1.175 0.00 0.00 +0.205 C BRANCH 16 17 ATOM 17 C LIG 1 -4.700 -1.493 -1.812 0.00 0.00 +0.017 A ATOM 18 C LIG 1 -5.651 -0.565 -1.375 0.00 0.00 +0.122 A ATOM 19 C LIG 1 -6.908 -0.486 -1.975 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -7.231 -1.327 -3.037 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -6.289 -2.239 -3.507 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -5.030 -2.317 -2.905 0.00 0.00 +0.009 A BRANCH 18 23 ATOM 23 O LIG 1 -5.425 0.309 -0.350 0.00 0.00 -0.506 OA ATOM 24 H LIG 1 -4.463 0.490 -0.279 0.00 0.00 +0.292 HD ENDBRANCH 18 23 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 13 14 BRANCH 1 25 ATOM 25 C LIG 1 0.708 0.404 0.312 0.00 0.00 +0.160 C BRANCH 25 26 ATOM 26 C LIG 1 1.558 1.591 -0.162 0.00 0.00 +0.172 C BRANCH 26 27 ATOM 27 O LIG 1 1.282 1.852 -1.545 0.00 0.00 -0.387 OA ATOM 28 H LIG 1 1.734 1.159 -2.066 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 3.056 1.306 0.016 0.00 0.00 +0.262 C BRANCH 29 30 ATOM 30 O LIG 1 3.367 0.108 -0.707 0.00 0.00 -0.489 OA BRANCH 30 34 ATOM 31 C LIG 1 7.085 -1.741 -0.254 0.00 0.00 +0.120 A ATOM 32 C LIG 1 6.023 -2.355 -0.920 0.00 0.00 +0.049 A ATOM 33 C LIG 1 4.797 -1.698 -1.054 0.00 0.00 +0.049 A ATOM 34 C LIG 1 4.610 -0.425 -0.508 0.00 0.00 +0.121 A ATOM 35 C LIG 1 5.671 0.196 0.149 0.00 0.00 +0.049 A ATOM 36 C LIG 1 6.904 -0.461 0.277 0.00 0.00 +0.049 A BRANCH 31 38 ATOM 37 C LIG 1 9.323 -1.927 0.523 0.00 0.00 +0.277 C ATOM 38 O LIG 1 8.233 -2.480 -0.206 0.00 0.00 -0.495 OA ENDBRANCH 31 38 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 11