REMARK Name = BDB007163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.034 4.659 0.615 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.858 3.250 0.164 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.744 2.401 0.449 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.986 1.165 -0.154 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.076 0.098 -0.045 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.105 0.299 0.678 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.378 1.532 1.273 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.214 1.258 -0.789 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.453 2.581 1.176 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.745 2.522 -0.616 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.061 2.938 -1.183 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.630 1.771 2.045 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.730 1.033 1.661 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.707 0.568 0.764 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 2.656 2.609 2.939 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.039 1.252 2.257 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.115 0.694 3.682 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.109 0.654 1.359 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.222 -0.738 1.173 0.00 0.00 +0.009 A ATOM 20 C LIG 1 7.190 -1.317 0.329 0.00 0.00 -0.044 A ATOM 21 C LIG 1 8.050 -0.430 -0.341 0.00 0.00 +0.004 A ATOM 22 C LIG 1 7.952 0.954 -0.180 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.985 1.493 0.663 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 7.255 -2.826 0.181 0.00 0.00 +0.019 C ATOM 25 C LIG 1 8.561 -3.541 -0.069 0.00 0.00 +0.009 C ATOM 26 C LIG 1 7.531 -3.463 -1.160 0.00 0.00 +0.009 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.825 0.185 -1.575 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.985 -0.479 -0.871 0.00 0.00 -0.027 A ATOM 29 C LIG 1 -5.209 -0.643 -1.543 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -6.316 -1.271 -0.942 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -6.149 -1.762 0.363 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.938 -1.621 1.042 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.862 -0.985 0.428 0.00 0.00 +0.005 A BRANCH 30 34 ATOM 34 C LIG 1 -7.636 -1.435 -1.688 0.00 0.00 +0.092 C ATOM 35 C LIG 1 -8.894 -0.857 -1.043 0.00 0.00 +0.024 C ATOM 36 C LIG 1 -8.310 -0.180 -2.241 0.00 0.00 +0.024 C BRANCH 34 37 ATOM 37 C LIG 1 -7.787 -2.708 -2.457 0.00 0.00 +0.315 C ATOM 38 O LIG 1 -8.242 -3.743 -1.997 0.00 0.00 -0.250 OA BRANCH 37 39 ATOM 39 O LIG 1 -7.368 -2.621 -3.737 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 -7.522 -3.522 -4.087 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 34 37 ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9