REMARK Name = BDB024412 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.424 -1.898 0.997 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.432 -2.987 -0.032 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -2.914 -4.276 0.109 0.00 0.00 +0.113 A ATOM 4 N LIG 1 -2.705 -4.904 -1.082 0.00 0.00 -0.274 N ATOM 5 C LIG 1 -3.069 -6.256 -1.429 0.00 0.00 +0.172 C ATOM 6 N LIG 1 -2.079 -4.132 -1.986 0.00 0.00 -0.180 NA ATOM 7 C LIG 1 -1.947 -2.959 -1.364 0.00 0.00 +0.140 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.206 -0.935 0.944 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.003 -1.570 0.673 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.010 -2.575 0.570 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.343 0.258 1.213 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.235 -0.937 0.517 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.346 0.394 0.604 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 2.579 0.941 0.437 0.00 0.00 +0.136 A ATOM 15 C LIG 1 3.752 0.240 0.150 0.00 0.00 +0.049 A ATOM 16 C LIG 1 3.590 -1.147 0.082 0.00 0.00 +0.028 A ATOM 17 C LIG 1 2.336 -1.742 0.258 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 5.016 0.822 -0.006 0.00 0.00 -0.318 N ATOM 19 C LIG 1 5.160 2.262 0.323 0.00 0.00 +0.201 C ATOM 20 C LIG 1 6.598 2.809 0.209 0.00 0.00 +0.233 C ATOM 21 O LIG 1 6.913 3.845 0.802 0.00 0.00 -0.274 OA ATOM 22 N LIG 1 7.476 2.157 -0.657 0.00 0.00 -0.302 N ATOM 23 C LIG 1 8.848 2.624 -0.721 0.00 0.00 +0.132 C ATOM 24 C LIG 1 7.236 0.763 -1.014 0.00 0.00 +0.126 C ATOM 25 C LIG 1 5.754 0.440 -1.222 0.00 0.00 +0.124 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.708 -1.173 1.095 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -3.522 -0.285 1.574 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.519 -0.923 -0.097 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -3.158 0.566 -1.689 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -4.410 0.450 -0.817 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -4.663 1.629 0.117 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -5.980 1.905 0.524 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.259 2.967 1.388 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.222 3.773 1.864 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -3.910 3.510 1.470 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -3.634 2.447 0.603 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -5.505 4.862 2.752 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -5.743 5.744 3.469 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9