REMARK Name = BDB001378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.419 -1.067 -0.399 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -2.632 -0.659 -1.099 0.00 0.00 -0.257 N ATOM 3 C LIG 1 -3.774 -0.886 -0.356 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -4.933 -0.682 -0.665 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -3.351 -1.462 0.926 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -4.128 -1.851 2.000 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -3.468 -2.384 3.109 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.066 -2.515 3.116 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.302 -2.115 2.015 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -1.962 -1.585 0.916 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -0.669 -2.173 -1.166 0.00 0.00 +0.007 A ATOM 12 C LIG 1 0.666 -2.003 -1.579 0.00 0.00 +0.008 A ATOM 13 C LIG 1 1.337 -3.007 -2.281 0.00 0.00 +0.000 A ATOM 14 C LIG 1 0.689 -4.201 -2.585 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -0.632 -4.392 -2.190 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -1.306 -3.388 -1.490 0.00 0.00 +0.008 A ENDBRANCH 1 11 BRANCH 1 17 ATOM 17 O LIG 1 -0.549 0.053 -0.226 0.00 0.00 -0.346 OA BRANCH 17 18 ATOM 18 C LIG 1 -0.990 1.114 0.628 0.00 0.00 +0.182 C BRANCH 18 19 ATOM 19 C LIG 1 0.100 2.185 0.654 0.00 0.00 +0.132 C BRANCH 19 22 ATOM 20 O LIG 1 2.228 3.621 1.857 0.00 0.00 -0.270 OA ATOM 21 C LIG 1 2.360 2.419 1.644 0.00 0.00 +0.248 C ATOM 22 N LIG 1 1.346 1.635 1.157 0.00 0.00 -0.309 N ATOM 23 H LIG 1 1.597 0.700 0.842 0.00 0.00 +0.149 HD BRANCH 21 24 ATOM 24 C LIG 1 3.668 1.742 1.921 0.00 0.00 +0.078 A ATOM 25 C LIG 1 3.968 0.412 1.577 0.00 0.00 +0.132 A ATOM 26 C LIG 1 5.219 -0.135 1.879 0.00 0.00 +0.091 A ATOM 27 C LIG 1 6.174 0.644 2.524 0.00 0.00 +0.120 A ATOM 28 C LIG 1 5.905 1.962 2.872 0.00 0.00 +0.046 A ATOM 29 C LIG 1 4.655 2.507 2.569 0.00 0.00 +0.020 A BRANCH 25 30 ATOM 30 O LIG 1 3.049 -0.379 0.934 0.00 0.00 -0.506 OA ATOM 31 H LIG 1 3.439 -1.260 0.790 0.00 0.00 +0.292 HD ENDBRANCH 25 30 BRANCH 27 32 ATOM 32 O LIG 1 7.379 0.069 2.797 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 7.947 0.725 3.234 0.00 0.00 +0.292 HD ENDBRANCH 27 32 ENDBRANCH 21 24 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 34 ATOM 34 C LIG 1 -2.650 -0.176 -2.467 0.00 0.00 +0.146 C BRANCH 34 35 ATOM 35 C LIG 1 -2.436 1.312 -2.576 0.00 0.00 -0.030 A ATOM 36 C LIG 1 -1.204 1.828 -3.003 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -1.006 3.207 -3.090 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -2.035 4.083 -2.747 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -3.263 3.582 -2.320 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -3.464 2.204 -2.235 0.00 0.00 +0.005 A ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 10