REMARK Name = BDB000350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.315 -2.361 0.288 0.00 0.00 -0.003 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.736 -3.811 0.252 0.00 0.00 -0.014 C ATOM 3 C LIG 1 -0.351 -3.984 -0.812 0.00 0.00 +0.007 C ATOM 4 C LIG 1 0.223 -4.326 1.601 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 0.281 -1.269 0.684 0.00 0.00 +0.039 C BRANCH 5 6 ATOM 6 C LIG 1 -0.547 -0.692 -0.440 0.00 0.00 -0.043 A ATOM 7 C LIG 1 -1.936 -0.599 -0.309 0.00 0.00 +0.053 A ATOM 8 C LIG 1 -2.701 -0.035 -1.332 0.00 0.00 +0.163 A ATOM 9 C LIG 1 -2.106 0.490 -2.486 0.00 0.00 +0.162 A ATOM 10 C LIG 1 -0.718 0.416 -2.609 0.00 0.00 +0.049 A ATOM 11 C LIG 1 0.053 -0.167 -1.593 0.00 0.00 +0.007 A BRANCH 9 12 ATOM 12 O LIG 1 -2.961 1.041 -3.406 0.00 0.00 -0.491 OA ATOM 13 C LIG 1 -2.385 1.506 -4.620 0.00 0.00 +0.277 C ENDBRANCH 9 12 BRANCH 8 14 ATOM 14 O LIG 1 -4.058 0.049 -1.157 0.00 0.00 -0.479 OA BRANCH 14 15 ATOM 15 C LIG 1 -4.694 -1.115 -1.698 0.00 0.00 +0.324 C BRANCH 15 16 ATOM 16 C LIG 1 -6.102 -0.754 -2.161 0.00 0.00 +0.250 C ATOM 17 N LIG 1 -6.194 0.496 -2.740 0.00 0.00 -0.316 N ATOM 18 H LIG 1 -5.398 1.113 -2.589 0.00 0.00 +0.148 HD ATOM 19 C LIG 1 -7.463 1.059 -3.109 0.00 0.00 +0.128 C ATOM 20 O LIG 1 -7.048 -1.533 -2.066 0.00 0.00 -0.272 OA ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 C LIG 1 2.536 -2.285 1.249 0.00 0.00 +0.025 C BRANCH 21 22 ATOM 22 C LIG 1 3.487 -1.099 0.946 0.00 0.00 +0.080 C BRANCH 22 23 ATOM 23 N LIG 1 4.230 -1.390 -0.295 0.00 0.00 -0.325 NA ATOM 24 H LIG 1 4.773 -2.241 -0.108 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 4.948 -0.681 -0.433 0.00 0.00 +0.119 HD ENDBRANCH 22 23 BRANCH 22 26 ATOM 26 C LIG 1 4.439 -0.843 2.144 0.00 0.00 +0.132 C BRANCH 26 27 ATOM 27 O LIG 1 5.331 -1.966 2.262 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 5.774 -1.883 3.125 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 5.307 0.430 2.065 0.00 0.00 +0.045 C BRANCH 29 30 ATOM 30 C LIG 1 4.613 1.782 1.772 0.00 0.00 +0.074 C ATOM 31 C LIG 1 4.584 2.092 0.274 0.00 0.00 +0.017 C BRANCH 30 34 ATOM 32 N LIG 1 2.232 2.474 1.834 0.00 0.00 -0.315 N ATOM 33 H LIG 1 2.349 2.787 0.880 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 3.276 1.897 2.516 0.00 0.00 +0.216 C ATOM 35 O LIG 1 3.158 1.500 3.675 0.00 0.00 -0.276 OA BRANCH 32 36 ATOM 36 C LIG 1 0.900 2.537 2.404 0.00 0.00 +0.104 C BRANCH 36 37 ATOM 37 C LIG 1 -0.111 3.056 1.387 0.00 0.00 +0.018 C BRANCH 37 39 ATOM 38 C LIG 1 -2.538 3.523 0.914 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -1.536 3.002 1.931 0.00 0.00 -0.002 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 18