REMARK Name = BDB045423 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.371 2.490 -2.059 0.00 0.00 +0.050 C ATOM 2 C LIG 1 -3.597 1.530 -2.036 0.00 0.00 +0.140 C ATOM 3 C LIG 1 -4.293 1.481 -3.420 0.00 0.00 +0.113 C ATOM 4 N LIG 1 -4.337 2.790 -4.074 0.00 0.00 -0.313 NA ATOM 5 H LIG 1 -4.899 2.749 -4.923 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -3.012 3.329 -4.361 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -1.893 2.742 -3.498 0.00 0.00 +0.026 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 0.973 1.129 0.372 0.00 0.00 +0.121 A ATOM 9 C LIG 1 0.447 2.413 0.526 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -0.623 2.848 -0.261 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -1.196 2.001 -1.218 0.00 0.00 -0.042 A ATOM 12 C LIG 1 -0.643 0.723 -1.387 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.429 0.289 -0.597 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 2.010 0.836 1.211 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 2.527 -0.497 1.228 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 3.651 -0.647 0.206 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 4.162 -2.080 0.117 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 4.528 -2.588 1.399 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 5.938 -2.669 1.612 0.00 0.00 +0.195 C BRANCH 19 23 ATOM 20 C LIG 1 7.661 1.166 2.564 0.00 0.00 +0.000 A ATOM 21 C LIG 1 6.654 0.633 3.368 0.00 0.00 +0.000 A ATOM 22 C LIG 1 6.100 -0.609 3.059 0.00 0.00 +0.006 A ATOM 23 C LIG 1 6.544 -1.329 1.941 0.00 0.00 -0.022 A ATOM 24 C LIG 1 7.559 -0.786 1.142 0.00 0.00 +0.006 A ATOM 25 C LIG 1 8.114 0.457 1.453 0.00 0.00 +0.000 A ENDBRANCH 19 23 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 O LIG 1 -4.593 1.934 -1.075 0.00 0.00 -0.370 OA BRANCH 26 27 ATOM 27 C LIG 1 -4.240 1.766 0.296 0.00 0.00 +0.195 C BRANCH 27 28 ATOM 28 C LIG 1 -4.106 0.320 0.705 0.00 0.00 -0.020 A ATOM 29 C LIG 1 -5.113 -0.607 0.387 0.00 0.00 +0.034 A ATOM 30 C LIG 1 -5.026 -1.946 0.745 0.00 0.00 +0.071 A ATOM 31 C LIG 1 -3.888 -2.371 1.462 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.803 -3.722 1.823 0.00 0.00 +0.011 A ATOM 33 C LIG 1 -4.824 -4.596 1.472 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -5.899 -4.087 0.768 0.00 0.00 +0.111 A ATOM 35 C LIG 1 -2.878 -1.454 1.797 0.00 0.00 +0.010 A ATOM 36 N LIG 1 -6.015 -2.791 0.402 0.00 0.00 -0.255 NA ATOM 37 C LIG 1 -2.990 -0.116 1.423 0.00 0.00 +0.006 A ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 11