REMARK Name = BDB048349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.693 -1.679 -0.096 0.00 0.00 -0.318 N ATOM 2 C LIG 1 -0.797 -2.998 -0.705 0.00 0.00 +0.130 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -0.116 -2.334 2.819 0.00 0.00 +0.049 C ATOM 4 C LIG 1 -1.387 -1.777 2.266 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -1.623 -1.498 0.924 0.00 0.00 +0.128 A ATOM 6 N LIG 1 -2.819 -1.039 0.509 0.00 0.00 -0.212 NA ATOM 7 C LIG 1 -3.776 -0.801 1.424 0.00 0.00 +0.162 A ATOM 8 N LIG 1 -3.624 -1.005 2.742 0.00 0.00 -0.235 NA ATOM 9 C LIG 1 -2.432 -1.490 3.126 0.00 0.00 +0.120 A BRANCH 7 10 ATOM 10 C LIG 1 -5.071 -0.277 0.945 0.00 0.00 +0.019 A ATOM 11 C LIG 1 -5.322 -0.069 -0.420 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -6.551 0.430 -0.875 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -7.591 0.749 0.015 0.00 0.00 -0.042 A ATOM 14 C LIG 1 -7.345 0.540 1.379 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -6.114 0.038 1.831 0.00 0.00 +0.012 A BRANCH 13 16 ATOM 16 C LIG 1 -8.926 1.295 -0.518 0.00 0.00 -0.013 C ATOM 17 C LIG 1 -8.678 2.593 -1.317 0.00 0.00 +0.015 C ATOM 18 C LIG 1 -9.950 1.631 0.589 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -9.579 0.247 -1.444 0.00 0.00 +0.015 C ENDBRANCH 13 16 ENDBRANCH 7 10 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 C LIG 1 0.642 -1.107 0.074 0.00 0.00 +0.109 C BRANCH 20 21 ATOM 21 C LIG 1 1.110 -0.482 -1.244 0.00 0.00 +0.060 C BRANCH 21 22 ATOM 22 C LIG 1 2.412 0.291 -1.065 0.00 0.00 +0.230 C BRANCH 22 23 ATOM 23 O LIG 1 3.430 -0.617 -0.644 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 4.690 -0.106 -0.481 0.00 0.00 +0.121 A ATOM 25 C LIG 1 5.671 -1.064 -0.201 0.00 0.00 +0.049 A ATOM 26 C LIG 1 6.981 -0.650 -0.015 0.00 0.00 -0.040 A ATOM 27 C LIG 1 8.183 -1.501 0.243 0.00 0.00 +0.036 C ATOM 28 C LIG 1 9.177 -0.451 0.760 0.00 0.00 +0.013 C ATOM 29 C LIG 1 8.812 0.892 0.086 0.00 0.00 +0.030 C ATOM 30 C LIG 1 7.330 0.700 -0.113 0.00 0.00 -0.040 A ATOM 31 C LIG 1 6.370 1.659 -0.388 0.00 0.00 +0.008 A ATOM 32 C LIG 1 5.043 1.250 -0.571 0.00 0.00 +0.046 A BRANCH 29 33 ATOM 33 C LIG 1 9.557 1.094 -1.233 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 9.481 2.528 -1.675 0.00 0.00 +0.305 C ATOM 35 O LIG 1 8.727 2.996 -2.511 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 10.359 3.318 -1.026 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 10.204 4.208 -1.409 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 11