REMARK Name = BDB061815 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.502 0.419 1.251 0.00 0.00 +0.076 A ATOM 2 C LIG 1 1.123 -0.151 2.388 0.00 0.00 +0.141 A ATOM 3 C LIG 1 2.476 0.090 2.655 0.00 0.00 +0.052 A ATOM 4 C LIG 1 3.241 0.901 1.802 0.00 0.00 -0.034 A ATOM 5 C LIG 1 2.622 1.469 0.681 0.00 0.00 +0.006 A ATOM 6 C LIG 1 1.273 1.226 0.410 0.00 0.00 +0.027 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -0.852 0.133 1.021 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -1.284 -0.433 1.740 0.00 0.00 +0.155 HD BRANCH 7 15 ATOM 9 C LIG 1 -6.156 -0.336 -1.576 0.00 0.00 +0.161 C ATOM 10 N LIG 1 -5.276 -0.204 -0.396 0.00 0.00 -0.299 N ATOM 11 C LIG 1 -3.994 0.284 -0.632 0.00 0.00 +0.149 A ATOM 12 C LIG 1 -3.742 1.083 -1.748 0.00 0.00 +0.095 A ATOM 13 C LIG 1 -2.443 1.536 -1.864 0.00 0.00 +0.141 A ATOM 14 N LIG 1 -1.458 1.249 -0.994 0.00 0.00 -0.221 NA ATOM 15 C LIG 1 -1.782 0.489 0.056 0.00 0.00 +0.221 A ATOM 16 N LIG 1 -4.780 1.433 -2.660 0.00 0.00 -0.269 N ATOM 17 C LIG 1 -4.557 2.461 -3.662 0.00 0.00 +0.138 C ATOM 18 N LIG 1 -3.019 0.008 0.256 0.00 0.00 -0.197 NA ATOM 19 C LIG 1 -6.050 0.882 -2.515 0.00 0.00 +0.240 C ATOM 20 O LIG 1 -7.026 1.266 -3.163 0.00 0.00 -0.273 OA BRANCH 10 21 ATOM 21 C LIG 1 -5.648 -0.916 0.833 0.00 0.00 +0.076 C ATOM 22 C LIG 1 -5.412 -0.101 2.118 0.00 0.00 +0.022 C ATOM 23 C LIG 1 -4.537 -0.978 3.010 0.00 0.00 +0.002 C ATOM 24 C LIG 1 -4.828 -2.396 2.548 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -4.947 -2.264 1.036 0.00 0.00 +0.022 C ENDBRANCH 10 21 BRANCH 9 27 ATOM 26 C LIG 1 -6.873 -1.967 -3.407 0.00 0.00 +0.006 C ATOM 27 C LIG 1 -5.832 -1.630 -2.347 0.00 0.00 +0.028 C ENDBRANCH 9 27 ENDBRANCH 7 15 ENDBRANCH 1 7 BRANCH 2 28 ATOM 28 O LIG 1 0.298 -0.936 3.164 0.00 0.00 -0.493 OA ATOM 29 C LIG 1 0.849 -1.485 4.354 0.00 0.00 +0.277 C ENDBRANCH 2 28 BRANCH 4 30 ATOM 30 C LIG 1 4.721 1.135 2.091 0.00 0.00 +0.082 C ATOM 31 C LIG 1 4.990 2.617 2.375 0.00 0.00 +0.020 C BRANCH 30 32 ATOM 32 C LIG 1 5.618 0.605 1.000 0.00 0.00 +0.115 A ATOM 33 N LIG 1 5.361 -0.572 0.336 0.00 0.00 -0.341 N ATOM 34 H LIG 1 4.551 -1.159 0.478 0.00 0.00 +0.167 HD ATOM 35 C LIG 1 6.361 -0.785 -0.578 0.00 0.00 +0.067 A ATOM 36 C LIG 1 7.230 0.291 -0.404 0.00 0.00 +0.101 A ATOM 37 C LIG 1 8.380 0.358 -1.210 0.00 0.00 +0.064 A ATOM 38 C LIG 1 8.610 -0.651 -2.164 0.00 0.00 +0.015 A ATOM 39 C LIG 1 7.715 -1.712 -2.309 0.00 0.00 +0.003 A ATOM 40 C LIG 1 6.567 -1.803 -1.514 0.00 0.00 +0.028 A ATOM 41 N LIG 1 6.740 1.140 0.564 0.00 0.00 -0.231 NA BRANCH 37 42 ATOM 42 C LIG 1 9.345 1.460 -1.050 0.00 0.00 +0.244 C ATOM 43 O LIG 1 9.791 1.806 0.034 0.00 0.00 -0.270 OA ATOM 44 N LIG 1 9.743 2.074 -2.210 0.00 0.00 -0.325 N ATOM 45 H LIG 1 9.197 1.988 -3.055 0.00 0.00 +0.145 HD ATOM 46 H LIG 1 10.285 2.920 -2.086 0.00 0.00 +0.145 HD ENDBRANCH 37 42 ENDBRANCH 30 32 ENDBRANCH 4 30 TORSDOF 8