REMARK Name = BDB058609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.664 -0.865 0.501 0.00 0.00 +0.089 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.738 -1.317 0.439 0.00 0.00 -0.302 NA ATOM 3 C LIG 1 -1.335 -1.333 1.786 0.00 0.00 +0.085 C ATOM 4 C LIG 1 -2.468 -2.350 1.973 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -3.302 -2.575 0.707 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -2.398 -2.858 -0.511 0.00 0.00 +0.023 C ATOM 7 C LIG 1 -0.910 -2.596 -0.246 0.00 0.00 +0.085 C BRANCH 5 8 ATOM 8 C LIG 1 -4.317 -1.457 0.502 0.00 0.00 -0.044 A ATOM 9 C LIG 1 -3.986 -0.239 -0.104 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -4.942 0.772 -0.258 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -6.260 0.603 0.193 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -6.585 -0.616 0.808 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -5.631 -1.628 0.962 0.00 0.00 +0.004 A BRANCH 11 14 ATOM 14 C LIG 1 -7.260 1.663 0.030 0.00 0.00 +0.018 A ATOM 15 C LIG 1 -8.082 2.096 1.058 0.00 0.00 +0.122 A ATOM 16 N LIG 1 -9.015 3.067 0.941 0.00 0.00 -0.243 NA ATOM 17 C LIG 1 -9.116 3.628 -0.272 0.00 0.00 +0.221 A ATOM 18 N LIG 1 -8.386 3.309 -1.350 0.00 0.00 -0.243 NA ATOM 19 C LIG 1 -7.474 2.328 -1.167 0.00 0.00 +0.122 A ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 1.228 -0.425 -0.862 0.00 0.00 +0.053 C BRANCH 20 24 ATOM 21 N LIG 1 4.811 0.461 -0.647 0.00 0.00 -0.220 N ATOM 22 N LIG 1 4.266 1.689 -0.450 0.00 0.00 -0.173 NA ATOM 23 C LIG 1 2.949 1.501 -0.512 0.00 0.00 +0.138 A ATOM 24 C LIG 1 2.596 0.158 -0.739 0.00 0.00 -0.008 A ATOM 25 C LIG 1 3.810 -0.486 -0.822 0.00 0.00 +0.120 A BRANCH 21 30 ATOM 26 O LIG 1 10.773 1.447 -0.375 0.00 0.00 -0.267 OA ATOM 27 C LIG 1 9.586 1.748 -0.349 0.00 0.00 +0.259 A ATOM 28 C LIG 1 8.521 0.744 -0.532 0.00 0.00 +0.070 A ATOM 29 C LIG 1 7.186 1.176 -0.486 0.00 0.00 +0.122 A ATOM 30 C LIG 1 6.219 0.175 -0.667 0.00 0.00 +0.180 A ATOM 31 N LIG 1 6.548 -1.146 -0.875 0.00 0.00 -0.234 NA ATOM 32 C LIG 1 7.849 -1.492 -0.907 0.00 0.00 +0.114 A ATOM 33 N LIG 1 6.889 2.538 -0.271 0.00 0.00 -0.233 NA ATOM 34 C LIG 1 7.851 3.376 -0.118 0.00 0.00 +0.200 A ATOM 35 C LIG 1 8.871 -0.589 -0.742 0.00 0.00 +0.035 A ATOM 36 N LIG 1 9.167 3.035 -0.149 0.00 0.00 -0.313 N ATOM 37 H LIG 1 9.887 3.732 -0.024 0.00 0.00 +0.170 HD ENDBRANCH 21 30 ENDBRANCH 20 24 ENDBRANCH 1 20 TORSDOF 6