REMARK Name = BDB051390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.721 1.209 0.249 0.00 0.00 -0.293 N ATOM 2 C LIG 1 1.280 -0.026 -0.095 0.00 0.00 +0.247 C ATOM 3 O LIG 1 0.817 -1.102 0.285 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 2.459 -0.109 -0.965 0.00 0.00 +0.040 A ATOM 5 C LIG 1 3.729 -0.204 -0.392 0.00 0.00 +0.059 A ATOM 6 C LIG 1 4.850 -0.346 -1.213 0.00 0.00 +0.124 A ATOM 7 C LIG 1 4.690 -0.409 -2.612 0.00 0.00 -0.006 A ATOM 8 C LIG 1 3.399 -0.350 -3.167 0.00 0.00 +0.008 A ATOM 9 C LIG 1 2.281 -0.218 -2.345 0.00 0.00 +0.013 A BRANCH 7 10 ATOM 10 C LIG 1 5.880 -0.539 -3.538 0.00 0.00 +0.035 C ATOM 11 C LIG 1 6.533 0.805 -3.820 0.00 0.00 +0.009 C ENDBRANCH 7 10 BRANCH 6 12 ATOM 12 O LIG 1 6.139 -0.417 -0.754 0.00 0.00 -0.492 OA BRANCH 12 13 ATOM 13 C LIG 1 6.327 -0.706 0.631 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 7.812 -0.948 0.888 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 8.349 -2.135 0.089 0.00 0.00 +0.163 C BRANCH 15 16 ATOM 16 O LIG 1 9.739 -2.336 0.352 0.00 0.00 -0.383 OA ATOM 17 C LIG 1 9.983 -3.125 1.508 0.00 0.00 +0.193 C ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 2 4 BRANCH 1 18 ATOM 18 C LIG 1 1.279 2.563 0.012 0.00 0.00 +0.070 C ATOM 19 C LIG 1 2.434 2.879 0.960 0.00 0.00 +0.028 C ATOM 20 C LIG 1 1.635 2.885 -1.438 0.00 0.00 +0.028 C ENDBRANCH 1 18 BRANCH 1 21 ATOM 21 C LIG 1 -0.419 1.136 1.188 0.00 0.00 +0.129 C BRANCH 21 22 ATOM 22 C LIG 1 -1.734 0.680 0.500 0.00 0.00 +0.097 C BRANCH 22 23 ATOM 23 N LIG 1 -2.069 1.597 -0.625 0.00 0.00 -0.324 NA ATOM 24 H LIG 1 -2.720 1.114 -1.246 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -1.213 1.701 -1.176 0.00 0.00 +0.119 HD ENDBRANCH 22 23 BRANCH 22 26 ATOM 26 C LIG 1 -2.897 0.666 1.526 0.00 0.00 +0.133 C BRANCH 26 27 ATOM 27 O LIG 1 -3.247 2.025 1.817 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 -3.114 2.498 0.967 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -4.141 -0.060 0.990 0.00 0.00 +0.045 C BRANCH 29 30 ATOM 30 C LIG 1 -5.194 -0.357 2.075 0.00 0.00 +0.074 C ATOM 31 C LIG 1 -5.940 0.878 2.577 0.00 0.00 +0.017 C BRANCH 30 34 ATOM 32 N LIG 1 -6.952 -1.001 0.489 0.00 0.00 -0.315 N ATOM 33 H LIG 1 -6.931 -0.030 0.207 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -6.182 -1.400 1.561 0.00 0.00 +0.216 C ATOM 35 O LIG 1 -6.261 -2.518 2.064 0.00 0.00 -0.276 OA BRANCH 32 36 ATOM 36 C LIG 1 -7.985 -1.851 -0.067 0.00 0.00 +0.104 C BRANCH 36 37 ATOM 37 C LIG 1 -9.283 -1.805 0.740 0.00 0.00 +0.018 C BRANCH 37 39 ATOM 38 C LIG 1 -10.331 0.163 -0.506 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -9.928 -0.419 0.840 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 19