REMARK Name = BDB024813 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.557 -3.420 -0.278 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.158 -2.289 0.457 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.941 -1.860 1.642 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.776 -2.851 2.809 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.594 -0.463 2.180 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.328 0.498 1.044 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.169 -0.044 0.261 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.154 0.796 -0.240 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -2.004 2.154 -0.099 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.899 2.475 -0.741 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.329 1.355 -1.309 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.112 0.266 -0.990 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.018 -1.097 -1.274 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.035 -1.924 -0.779 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.111 -1.427 -0.027 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.029 -3.848 -1.299 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.139 -5.151 -0.479 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.674 -4.012 0.246 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 0.881 1.303 -2.107 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.113 1.266 -1.227 0.00 0.00 +0.233 C ATOM 21 N LIG 1 2.800 0.078 -1.239 0.00 0.00 -0.307 N ATOM 22 H LIG 1 2.413 -0.750 -1.683 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 2.473 2.227 -0.550 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 3.935 -0.139 -0.372 0.00 0.00 +0.180 C BRANCH 24 25 ATOM 25 C LIG 1 4.491 -1.489 -0.643 0.00 0.00 +0.150 A ATOM 26 N LIG 1 5.681 -1.961 -0.151 0.00 0.00 -0.317 N ATOM 27 C LIG 1 6.601 -1.261 0.708 0.00 0.00 +0.152 C ATOM 28 C LIG 1 5.826 -3.230 -0.652 0.00 0.00 +0.130 A ATOM 29 C LIG 1 6.985 -4.115 -0.397 0.00 0.00 +0.088 C ATOM 30 N LIG 1 4.775 -3.516 -1.390 0.00 0.00 -0.135 NA ATOM 31 N LIG 1 3.938 -2.431 -1.384 0.00 0.00 -0.133 NA ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 -0.339 3.860 -0.810 0.00 0.00 +0.097 C BRANCH 32 33 ATOM 33 C LIG 1 0.105 4.329 0.570 0.00 0.00 +0.151 C BRANCH 33 34 ATOM 34 N LIG 1 0.857 5.568 0.492 0.00 0.00 -0.271 N ATOM 35 N LIG 1 0.214 6.738 0.316 0.00 0.00 -0.180 NA ATOM 36 C LIG 1 1.199 7.639 0.290 0.00 0.00 +0.134 A ATOM 37 C LIG 1 2.468 7.050 0.436 0.00 0.00 +0.041 A ATOM 38 C LIG 1 2.215 5.705 0.561 0.00 0.00 +0.108 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 8