REMARK Name = BDB011488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.056 -1.344 0.040 0.00 0.00 +0.170 C ATOM 2 C LIG 1 -1.686 -0.490 -1.071 0.00 0.00 +0.241 C ATOM 3 O LIG 1 -2.587 -0.968 -1.772 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.254 0.832 -1.188 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.076 1.355 -0.548 0.00 0.00 +0.052 A ATOM 6 C LIG 1 1.143 0.633 -0.474 0.00 0.00 +0.051 A ATOM 7 C LIG 1 2.273 1.194 0.179 0.00 0.00 +0.049 A ATOM 8 C LIG 1 2.173 2.463 0.749 0.00 0.00 +0.024 A ATOM 9 C LIG 1 0.987 3.186 0.656 0.00 0.00 +0.004 A ATOM 10 S LIG 1 1.366 -0.921 -1.372 0.00 0.00 -0.119 S ATOM 11 C LIG 1 -0.120 2.644 0.005 0.00 0.00 +0.025 A ATOM 12 C LIG 1 0.247 -1.991 -0.417 0.00 0.00 +0.106 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -1.975 -3.063 1.588 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -2.050 -2.359 0.413 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -2.770 -2.555 -0.277 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -1.038 -2.900 2.370 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -3.084 -4.126 1.815 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -4.483 -3.650 1.427 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -3.558 -3.726 4.205 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -3.015 -4.643 3.206 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -2.021 -4.776 3.420 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 N LIG 1 3.475 0.443 0.202 0.00 0.00 -0.280 N ATOM 23 H LIG 1 3.405 -0.455 -0.267 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 4.669 0.753 0.822 0.00 0.00 +0.248 C ATOM 25 O LIG 1 4.890 1.720 1.542 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 5.768 -0.231 0.599 0.00 0.00 +0.037 A ATOM 27 C LIG 1 5.914 -0.919 -0.612 0.00 0.00 +0.016 A ATOM 28 C LIG 1 6.961 -1.835 -0.780 0.00 0.00 +0.046 A ATOM 29 C LIG 1 7.871 -2.062 0.254 0.00 0.00 +0.120 A ATOM 30 C LIG 1 7.733 -1.358 1.453 0.00 0.00 +0.046 A ATOM 31 C LIG 1 6.692 -0.443 1.627 0.00 0.00 +0.016 A BRANCH 29 32 ATOM 32 O LIG 1 8.931 -2.925 0.219 0.00 0.00 -0.495 OA ATOM 33 C LIG 1 9.103 -3.689 -0.968 0.00 0.00 +0.277 C ENDBRANCH 29 32 ENDBRANCH 24 26 ENDBRANCH 7 22 BRANCH 4 34 ATOM 34 C LIG 1 -2.023 1.725 -2.068 0.00 0.00 +0.149 C BRANCH 34 35 ATOM 35 C LIG 1 -3.198 2.463 -1.434 0.00 0.00 -0.022 A ATOM 36 C LIG 1 -3.797 3.573 -2.109 0.00 0.00 -0.013 A ATOM 37 C LIG 1 -4.875 4.255 -1.487 0.00 0.00 -0.018 A ATOM 38 C LIG 1 -5.473 5.359 -2.117 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -5.032 5.803 -3.361 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -3.988 5.143 -3.994 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -5.352 3.827 -0.242 0.00 0.00 +0.008 A ATOM 42 C LIG 1 -4.788 2.729 0.396 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -3.381 4.045 -3.378 0.00 0.00 +0.009 A ATOM 44 C LIG 1 -3.727 2.051 -0.195 0.00 0.00 +0.006 A ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 8