REMARK Name = BDB039338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.043 -0.067 0.444 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -2.370 0.590 1.580 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -1.375 0.867 2.554 0.00 0.00 +0.066 A ATOM 4 N LIG 1 -0.077 0.449 2.303 0.00 0.00 -0.299 N ATOM 5 C LIG 1 0.663 0.834 3.397 0.00 0.00 +0.204 A ATOM 6 N LIG 1 -0.061 1.463 4.298 0.00 0.00 -0.243 NA ATOM 7 C LIG 1 0.299 -0.226 1.133 0.00 0.00 +0.055 A ATOM 8 C LIG 1 -1.333 1.486 3.782 0.00 0.00 +0.138 A ATOM 9 C LIG 1 -0.653 -0.485 0.211 0.00 0.00 +0.031 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 1.684 -0.644 0.875 0.00 0.00 -0.001 A ATOM 11 C LIG 1 2.609 0.284 0.364 0.00 0.00 +0.016 A ATOM 12 C LIG 1 3.905 -0.142 0.128 0.00 0.00 -0.017 A ATOM 13 C LIG 1 5.077 0.620 -0.400 0.00 0.00 +0.144 C ATOM 14 N LIG 1 6.120 -0.399 -0.442 0.00 0.00 -0.282 N ATOM 15 C LIG 1 5.690 -1.617 0.058 0.00 0.00 +0.248 C ATOM 16 O LIG 1 6.344 -2.626 0.234 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 4.270 -1.461 0.390 0.00 0.00 +0.042 A ATOM 18 C LIG 1 3.387 -2.397 0.894 0.00 0.00 +0.014 A ATOM 19 C LIG 1 2.077 -1.977 1.135 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 7.528 -0.115 -0.703 0.00 0.00 +0.163 C ATOM 21 C LIG 1 7.786 0.909 -1.821 0.00 0.00 +0.240 C ATOM 22 O LIG 1 6.964 1.219 -2.680 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 9.045 1.465 -1.843 0.00 0.00 -0.255 N ATOM 24 H LIG 1 9.211 2.140 -2.577 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 9.974 1.459 -0.833 0.00 0.00 +0.219 C ATOM 26 O LIG 1 10.966 2.179 -0.883 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 9.725 0.502 0.307 0.00 0.00 +0.098 C ATOM 28 C LIG 1 8.237 0.339 0.575 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 7 10 BRANCH 1 29 ATOM 29 C LIG 1 -3.033 -0.415 -0.661 0.00 0.00 +0.120 C BRANCH 29 31 ATOM 30 C LIG 1 -4.775 -1.605 0.496 0.00 0.00 +0.106 C ATOM 31 N LIG 1 -4.451 -0.381 -0.259 0.00 0.00 -0.292 NA BRANCH 31 32 ATOM 32 C LIG 1 -5.428 -0.102 -1.362 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -5.372 -1.196 -2.460 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -5.097 1.247 -2.067 0.00 0.00 +0.033 C BRANCH 32 35 ATOM 35 C LIG 1 -6.851 0.099 -0.771 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -7.982 -0.592 -1.239 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -9.245 -0.371 -0.680 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -9.406 0.544 0.356 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -8.304 1.241 0.838 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -7.042 1.022 0.281 0.00 0.00 +0.005 A ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 6