REMARK Name = BDB024410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.951 -1.300 -0.590 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.382 -1.900 0.712 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -2.792 -3.199 0.958 0.00 0.00 +0.113 A ATOM 4 N LIG 1 -3.086 -3.264 2.289 0.00 0.00 -0.274 N ATOM 5 C LIG 1 -3.566 -4.411 3.021 0.00 0.00 +0.172 C ATOM 6 N LIG 1 -2.884 -2.106 2.936 0.00 0.00 -0.180 NA ATOM 7 C LIG 1 -2.460 -1.276 1.981 0.00 0.00 +0.140 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.632 -0.491 -0.383 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.500 -1.264 -0.602 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.370 -2.240 -0.821 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.660 0.688 -0.033 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.822 -0.816 -0.496 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.097 0.462 -0.209 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 3.401 0.830 -0.123 0.00 0.00 +0.136 A ATOM 15 C LIG 1 4.499 -0.015 -0.300 0.00 0.00 +0.049 A ATOM 16 C LIG 1 4.167 -1.336 -0.614 0.00 0.00 +0.028 A ATOM 17 C LIG 1 2.832 -1.744 -0.711 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 5.842 0.385 -0.219 0.00 0.00 -0.318 N ATOM 19 C LIG 1 6.650 -0.425 0.734 0.00 0.00 +0.201 C ATOM 20 C LIG 1 8.119 0.017 0.900 0.00 0.00 +0.233 C ATOM 21 O LIG 1 8.937 -0.753 1.413 0.00 0.00 -0.274 OA ATOM 22 N LIG 1 8.462 1.318 0.534 0.00 0.00 -0.302 N ATOM 23 C LIG 1 9.857 1.710 0.605 0.00 0.00 +0.132 C ATOM 24 C LIG 1 7.615 2.049 -0.400 0.00 0.00 +0.126 C ATOM 25 C LIG 1 6.124 1.824 -0.145 0.00 0.00 +0.124 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.975 -0.394 -1.138 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -3.067 0.402 -0.501 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.277 -1.008 -1.391 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -4.754 0.393 -3.479 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -5.270 -0.054 -2.104 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -5.701 1.100 -1.206 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -6.839 0.950 -0.396 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.253 1.979 0.455 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.531 3.174 0.514 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -5.393 3.331 -0.279 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -4.981 2.302 -1.131 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -6.957 4.230 1.384 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -7.310 5.085 2.086 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9