REMARK Name = BDB013915 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.835 0.120 -0.840 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -1.498 0.830 -0.548 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -1.400 1.567 0.442 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.424 0.547 -1.397 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.559 -0.071 -2.685 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -1.675 0.188 -3.510 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -1.791 -0.461 -4.753 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -0.803 -1.336 -5.195 0.00 0.00 +0.000 A ATOM 9 C LIG 1 0.318 -1.563 -4.407 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -2.711 1.216 -3.136 0.00 0.00 +0.039 C ATOM 11 C LIG 1 0.441 -0.930 -3.168 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -3.600 0.763 -1.991 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -4.581 -0.795 0.686 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -3.631 0.160 0.388 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -3.269 0.755 1.128 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -4.861 -1.713 -0.079 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -5.216 -0.598 2.084 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -6.239 -1.695 2.369 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -5.975 1.232 3.503 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -5.848 0.741 2.139 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -5.288 1.399 1.597 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 0.911 0.903 -0.915 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 1.678 -0.068 -0.006 0.00 0.00 +0.020 A ATOM 24 C LIG 1 3.016 0.313 0.375 0.00 0.00 -0.010 A ATOM 25 C LIG 1 3.774 -0.544 1.207 0.00 0.00 -0.016 A ATOM 26 C LIG 1 5.085 -0.201 1.591 0.00 0.00 +0.031 A ATOM 27 C LIG 1 5.686 0.989 1.173 0.00 0.00 +0.034 A ATOM 28 C LIG 1 4.957 1.844 0.360 0.00 0.00 +0.024 A ATOM 29 C LIG 1 3.217 -1.742 1.657 0.00 0.00 +0.012 A ATOM 30 C LIG 1 1.923 -2.108 1.300 0.00 0.00 +0.046 A ATOM 31 C LIG 1 3.651 1.513 -0.028 0.00 0.00 +0.011 A ATOM 32 C LIG 1 1.149 -1.291 0.471 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 N LIG 1 7.003 1.242 1.610 0.00 0.00 -0.286 N ATOM 34 H LIG 1 7.415 0.536 2.207 0.00 0.00 +0.155 HD ATOM 35 C LIG 1 7.788 2.344 1.323 0.00 0.00 +0.214 C ATOM 36 O LIG 1 7.479 3.315 0.641 0.00 0.00 -0.276 OA ATOM 37 C LIG 1 9.142 2.264 1.984 0.00 0.00 +0.109 C ENDBRANCH 27 33 BRANCH 32 38 ATOM 38 O LIG 1 -0.128 -1.624 0.110 0.00 0.00 -0.495 OA ATOM 39 C LIG 1 -0.585 -2.948 0.355 0.00 0.00 +0.277 C ENDBRANCH 32 38 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7