REMARK Name = BDB007115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.773 -4.394 1.566 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.720 -2.933 1.277 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.652 -2.233 0.636 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.011 -0.885 0.559 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.170 0.073 -0.035 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.062 -0.347 -0.548 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.451 -1.685 -0.466 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.267 -0.768 1.133 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.595 -2.635 0.109 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.700 -2.000 1.586 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.015 -2.204 2.259 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.758 -2.154 -1.004 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.792 -1.245 -0.957 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.678 -0.387 -0.438 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.878 -3.296 -1.430 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.135 -1.585 -1.396 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.858 -2.452 -0.361 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.884 -0.307 -1.731 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -6.410 0.532 -0.732 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -7.076 1.727 -1.054 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -7.203 2.081 -2.404 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -6.676 1.266 -3.405 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.017 0.083 -3.071 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -7.653 2.632 0.020 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -6.562 3.172 0.948 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -8.751 1.926 0.820 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 2.999 0.491 1.279 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 4.145 0.628 0.303 0.00 0.00 -0.024 A ATOM 29 C LIG 1 5.410 1.030 0.763 0.00 0.00 +0.051 A ATOM 30 C LIG 1 6.488 1.192 -0.115 0.00 0.00 +0.122 A ATOM 31 C LIG 1 6.300 0.954 -1.474 0.00 0.00 +0.046 A ATOM 32 C LIG 1 5.044 0.568 -1.949 0.00 0.00 +0.004 A ATOM 33 C LIG 1 3.973 0.413 -1.070 0.00 0.00 +0.005 A BRANCH 30 34 ATOM 34 O LIG 1 7.652 1.579 0.489 0.00 0.00 -0.478 OA BRANCH 34 35 ATOM 35 C LIG 1 8.813 1.812 -0.325 0.00 0.00 +0.278 C ATOM 36 C LIG 1 9.571 0.509 -0.544 0.00 0.00 +0.064 C BRANCH 35 37 ATOM 37 C LIG 1 9.713 2.786 0.439 0.00 0.00 +0.346 C ATOM 38 O LIG 1 10.818 3.149 0.060 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 9.163 3.230 1.597 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 8.284 2.808 1.718 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 10