REMARK Name = BDB038754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.019 -0.506 -0.642 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.662 -0.202 -0.499 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.779 -1.178 -0.058 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.199 -2.430 0.231 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.510 -2.750 0.098 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.431 -1.809 -0.349 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.409 -0.920 0.124 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.260 0.286 -0.033 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.150 1.389 -0.344 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.672 0.025 0.274 0.00 0.00 +0.045 A ATOM 11 C LIG 1 1.800 -1.316 0.609 0.00 0.00 +0.018 A ATOM 12 C LIG 1 3.034 -1.821 0.940 0.00 0.00 +0.129 A ATOM 13 C LIG 1 4.143 -0.975 0.935 0.00 0.00 +0.043 A ATOM 14 C LIG 1 4.010 0.393 0.596 0.00 0.00 -0.030 A ATOM 15 F LIG 1 3.176 -3.112 1.263 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.745 0.900 0.258 0.00 0.00 +0.018 A ATOM 17 C LIG 1 0.480 -1.997 0.540 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 5.227 1.294 0.594 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 N LIG 1 6.219 0.880 -0.396 0.00 0.00 -0.293 NA ATOM 20 C LIG 1 7.455 1.644 -0.301 0.00 0.00 +0.088 C ATOM 21 C LIG 1 8.134 1.180 -1.564 0.00 0.00 +0.035 C ATOM 22 C LIG 1 9.432 1.929 -1.464 0.00 0.00 +0.165 C ATOM 23 O LIG 1 9.774 1.849 -0.052 0.00 0.00 -0.378 OA ATOM 24 C LIG 1 7.068 1.420 -2.599 0.00 0.00 +0.023 C ATOM 25 C LIG 1 8.588 1.417 0.676 0.00 0.00 +0.179 C ATOM 26 C LIG 1 5.781 1.101 -1.801 0.00 0.00 +0.085 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -6.092 0.917 -0.289 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -4.986 0.519 -1.079 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -4.822 1.119 -2.344 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -5.729 2.068 -2.821 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.830 2.436 -2.047 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.010 1.859 -0.787 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 -4.394 1.365 2.322 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -5.575 0.561 2.165 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -6.343 0.368 1.042 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -7.368 -0.397 1.373 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -7.250 -0.736 2.700 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -6.170 -0.153 3.161 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 -7.767 3.402 -2.540 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -8.516 4.192 -2.941 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 -3.946 -4.154 0.439 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -4.955 -4.392 1.539 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -3.521 -4.773 1.752 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 7