REMARK Name = BDB038696 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.008 0.075 1.010 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.632 0.239 0.827 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.766 -0.788 1.170 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.222 -1.953 1.687 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.552 -2.140 1.885 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.455 -1.131 1.560 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.376 -0.683 0.990 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.335 0.370 0.431 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.049 1.424 -0.042 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.754 -0.008 0.481 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.850 -1.269 1.056 0.00 0.00 -0.018 A ATOM 12 C LIG 1 3.084 -1.864 1.218 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.215 -1.157 0.789 0.00 0.00 +0.006 A ATOM 14 C LIG 1 4.133 0.139 0.201 0.00 0.00 -0.027 A ATOM 15 C LIG 1 2.858 0.712 0.050 0.00 0.00 +0.018 A ATOM 16 C LIG 1 0.491 -1.774 1.408 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.440 0.851 -0.236 0.00 0.00 +0.039 C ATOM 18 C LIG 1 5.165 2.177 -0.980 0.00 0.00 +0.032 C ATOM 19 C LIG 1 6.231 1.185 1.049 0.00 0.00 +0.032 C BRANCH 17 20 ATOM 20 N LIG 1 6.141 -0.076 -1.141 0.00 0.00 -0.307 NA ATOM 21 H LIG 1 5.664 -0.127 -2.038 0.00 0.00 +0.123 HD BRANCH 20 22 ATOM 22 C LIG 1 7.580 0.008 -1.314 0.00 0.00 +0.085 C BRANCH 22 23 ATOM 23 C LIG 1 7.998 1.096 -2.253 0.00 0.00 +0.003 C ATOM 24 C LIG 1 9.468 1.275 -2.554 0.00 0.00 +0.005 C ATOM 25 C LIG 1 8.737 2.318 -1.762 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -6.008 0.932 -0.304 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -4.958 1.138 0.624 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -4.836 2.411 1.216 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -5.730 3.443 0.916 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -6.776 3.223 0.020 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -6.914 1.971 -0.584 0.00 0.00 +0.031 A BRANCH 26 34 ATOM 32 C LIG 1 -4.173 -0.389 -2.485 0.00 0.00 +0.152 C ATOM 33 N LIG 1 -5.386 -0.916 -1.920 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -6.215 -0.344 -0.986 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -7.250 -1.145 -0.810 0.00 0.00 -0.129 NA ATOM 36 N LIG 1 -7.077 -2.259 -1.597 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 -5.955 -2.106 -2.258 0.00 0.00 +0.225 A ENDBRANCH 26 34 BRANCH 30 38 ATOM 38 C LIG 1 -7.700 4.277 -0.282 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.439 5.136 -0.529 0.00 0.00 -0.191 NA ENDBRANCH 30 38 ENDBRANCH 1 27 BRANCH 5 40 ATOM 40 C LIG 1 -3.975 -3.484 2.446 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -5.213 -4.189 1.942 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -5.179 -3.643 3.342 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 9