REMARK Name = BDB039090 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.422 0.771 0.971 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.377 -0.102 0.725 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.034 0.465 0.671 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -2.978 -0.467 0.132 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.271 -1.805 -0.224 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.275 -2.646 -0.740 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.957 -2.208 -0.895 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.676 -0.890 -0.521 0.00 0.00 +0.069 A ATOM 9 N LIG 1 0.478 -0.133 -0.532 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.178 1.117 -0.032 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -1.104 1.193 0.272 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -4.687 -2.313 -0.103 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -1.646 -0.032 -0.019 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.478 -1.538 0.947 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -6.306 1.991 0.998 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 1.161 2.244 0.142 0.00 0.00 +0.055 C ATOM 17 C LIG 1 1.245 2.675 1.620 0.00 0.00 +0.011 C ATOM 18 C LIG 1 1.664 4.136 1.809 0.00 0.00 +0.001 C ATOM 19 C LIG 1 2.545 4.629 0.670 0.00 0.00 +0.000 C ATOM 20 C LIG 1 1.828 4.550 -0.679 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.787 3.430 -0.755 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 -8.707 0.998 1.431 0.00 0.00 +0.282 C ATOM 23 O LIG 1 -7.604 0.127 1.181 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 1.768 -0.609 -1.008 0.00 0.00 +0.159 C BRANCH 24 25 ATOM 25 C LIG 1 2.587 -1.262 0.114 0.00 0.00 +0.164 C BRANCH 25 26 ATOM 26 C LIG 1 3.618 -2.227 -0.436 0.00 0.00 -0.017 A ATOM 27 C LIG 1 4.727 -1.764 -1.164 0.00 0.00 +0.021 A ATOM 28 C LIG 1 5.670 -2.662 -1.681 0.00 0.00 +0.059 A ATOM 29 C LIG 1 5.506 -4.036 -1.471 0.00 0.00 +0.015 A ATOM 30 C LIG 1 4.408 -4.505 -0.749 0.00 0.00 +0.001 A ATOM 31 C LIG 1 3.469 -3.607 -0.236 0.00 0.00 +0.006 A BRANCH 28 32 ATOM 32 C LIG 1 6.819 -2.114 -2.443 0.00 0.00 +0.337 C ATOM 33 O LIG 1 7.016 -0.937 -2.680 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 7.665 -3.067 -2.871 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 8.361 -2.567 -3.348 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 28 32 ENDBRANCH 25 26 BRANCH 25 36 ATOM 36 O LIG 1 3.265 -0.260 0.875 0.00 0.00 -0.385 OA ATOM 37 H LIG 1 3.925 -0.713 1.428 0.00 0.00 +0.210 HD ENDBRANCH 25 36 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8