REMARK Name = BDB020753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.779 2.486 0.482 0.00 0.00 +0.008 A ATOM 2 C LIG 1 0.513 1.133 0.350 0.00 0.00 +0.055 A ATOM 3 N LIG 1 1.590 0.401 0.865 0.00 0.00 -0.318 N ATOM 4 C LIG 1 1.621 -1.023 0.918 0.00 0.00 +0.044 A ATOM 5 C LIG 1 0.535 -1.705 0.452 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -0.574 -0.946 -0.144 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.352 -3.202 0.503 0.00 0.00 +0.046 C ATOM 8 C LIG 1 2.530 1.325 1.285 0.00 0.00 +0.092 A ATOM 9 C LIG 1 -0.575 0.399 -0.198 0.00 0.00 +0.040 A ATOM 10 C LIG 1 2.066 2.599 1.056 0.00 0.00 +0.028 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -0.530 5.527 -1.213 0.00 0.00 +0.215 A ATOM 12 N LIG 1 -1.794 5.637 -0.751 0.00 0.00 -0.221 NA ATOM 13 C LIG 1 -2.202 4.694 0.125 0.00 0.00 +0.115 A ATOM 14 C LIG 1 -1.407 3.647 0.557 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -0.108 3.553 0.056 0.00 0.00 -0.009 A ATOM 16 C LIG 1 0.342 4.518 -0.843 0.00 0.00 +0.075 A BRANCH 11 18 ATOM 17 C LIG 1 -0.988 7.467 -2.440 0.00 0.00 +0.279 C ATOM 18 O LIG 1 -0.039 6.459 -2.108 0.00 0.00 -0.480 OA ENDBRANCH 11 18 ENDBRANCH 1 15 BRANCH 6 19 ATOM 19 C LIG 1 -1.751 -1.617 -0.776 0.00 0.00 +0.245 C ATOM 20 N LIG 1 -2.945 -1.309 -0.169 0.00 0.00 -0.307 N ATOM 21 H LIG 1 -2.904 -0.888 0.754 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -1.625 -2.399 -1.710 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 -4.155 -2.023 -0.508 0.00 0.00 +0.149 C BRANCH 23 24 ATOM 24 C LIG 1 -5.351 -1.210 -0.129 0.00 0.00 +0.075 A ATOM 25 C LIG 1 -5.570 -0.961 1.327 0.00 0.00 +0.257 A ATOM 26 O LIG 1 -4.783 -1.367 2.179 0.00 0.00 -0.267 OA ATOM 27 N LIG 1 -6.684 -0.235 1.670 0.00 0.00 -0.326 N ATOM 28 H LIG 1 -6.809 -0.073 2.663 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 -7.574 0.300 0.769 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -8.708 1.106 1.321 0.00 0.00 +0.063 C ATOM 31 C LIG 1 -7.380 0.082 -0.541 0.00 0.00 +0.067 A ATOM 32 C LIG 1 -6.264 -0.724 -0.989 0.00 0.00 +0.132 A BRANCH 32 33 ATOM 33 O LIG 1 -6.148 -0.866 -2.356 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 -6.991 -1.908 -2.849 0.00 0.00 +0.277 C ENDBRANCH 32 33 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 6 19 BRANCH 4 35 ATOM 35 C LIG 1 2.863 -1.734 1.486 0.00 0.00 +0.101 C ATOM 36 C LIG 1 2.841 -1.606 3.022 0.00 0.00 +0.031 C BRANCH 35 37 ATOM 37 N LIG 1 4.133 -1.302 0.856 0.00 0.00 -0.292 NA ATOM 38 C LIG 1 4.181 -1.573 -0.600 0.00 0.00 +0.100 C ATOM 39 C LIG 1 5.131 -2.720 -1.014 0.00 0.00 +0.100 C ATOM 40 N LIG 1 6.525 -2.563 -0.555 0.00 0.00 -0.292 NA ATOM 41 C LIG 1 6.600 -1.717 0.654 0.00 0.00 +0.100 C ATOM 42 C LIG 1 5.335 -1.827 1.535 0.00 0.00 +0.100 C BRANCH 40 43 ATOM 43 C LIG 1 7.407 -2.049 -1.635 0.00 0.00 +0.198 C BRANCH 43 44 ATOM 44 C LIG 1 8.914 -1.900 -1.338 0.00 0.00 +0.402 C ATOM 45 F LIG 1 9.461 -3.054 -0.897 0.00 0.00 -0.169 F ATOM 46 F LIG 1 9.579 -1.543 -2.464 0.00 0.00 -0.169 F ATOM 47 F LIG 1 9.155 -0.943 -0.413 0.00 0.00 -0.169 F ENDBRANCH 43 44 ENDBRANCH 40 43 ENDBRANCH 35 37 ENDBRANCH 4 35 TORSDOF 10