REMARK Name = BDB038680 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.654 -0.215 -1.563 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.898 0.900 -2.275 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.159 1.247 -2.626 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.234 0.457 -2.228 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.019 -0.706 -1.481 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.696 -1.049 -1.182 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.187 -0.747 -0.146 0.00 0.00 -0.033 A ATOM 8 C LIG 1 3.267 0.026 -0.871 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.939 -0.359 -0.850 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.786 0.262 -1.518 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.329 -0.505 -1.178 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.018 -1.610 -0.300 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.906 1.252 -2.216 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.492 -1.463 -0.133 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.379 -2.231 0.599 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.731 -1.866 0.591 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.648 -0.360 -0.121 0.00 0.00 +0.117 C BRANCH 17 18 ATOM 18 N LIG 1 5.880 0.691 0.860 0.00 0.00 -0.302 NA ATOM 19 H LIG 1 5.503 0.428 1.766 0.00 0.00 +0.123 HD BRANCH 18 24 ATOM 20 C LIG 1 7.883 2.944 4.157 0.00 0.00 +0.132 C ATOM 21 N LIG 1 7.923 2.034 3.038 0.00 0.00 -0.303 N ATOM 22 C LIG 1 7.421 2.366 1.778 0.00 0.00 +0.232 C ATOM 23 O LIG 1 7.094 3.484 1.411 0.00 0.00 -0.274 OA ATOM 24 C LIG 1 7.298 1.065 0.961 0.00 0.00 +0.142 C ATOM 25 C LIG 1 8.136 0.091 1.801 0.00 0.00 +0.047 C ATOM 26 C LIG 1 8.000 0.610 3.219 0.00 0.00 +0.109 C ENDBRANCH 18 24 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 C LIG 1 -5.152 -1.525 -0.997 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -5.317 -1.882 0.365 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -6.392 -2.700 0.756 0.00 0.00 +0.031 A ATOM 30 C LIG 1 -7.327 -3.147 -0.181 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -7.184 -2.788 -1.521 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.108 -1.990 -1.923 0.00 0.00 +0.010 A BRANCH 28 33 ATOM 33 C LIG 1 -4.376 -1.464 1.405 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -4.179 -0.186 1.867 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -4.881 1.015 1.503 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -3.164 -0.260 2.773 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -2.765 -1.504 2.885 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -3.537 -2.264 2.038 0.00 0.00 -0.129 NA ENDBRANCH 28 33 BRANCH 30 39 ATOM 39 C LIG 1 -8.424 -3.973 0.231 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -9.320 -4.632 0.561 0.00 0.00 -0.191 NA ENDBRANCH 30 39 ENDBRANCH 5 27 BRANCH 3 41 ATOM 41 C LIG 1 -3.308 2.523 -3.432 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -4.463 3.472 -3.218 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -4.370 2.682 -4.493 0.00 0.00 +0.010 C ENDBRANCH 3 41 TORSDOF 8