REMARK Name = BDB036263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.419 2.994 -0.100 0.00 0.00 +0.061 A ATOM 2 C LIG 1 -0.330 1.796 -0.291 0.00 0.00 +0.151 A ATOM 3 N LIG 1 0.369 0.606 -0.238 0.00 0.00 -0.271 N ATOM 4 C LIG 1 -0.541 -0.404 -0.450 0.00 0.00 +0.120 A ATOM 5 C LIG 1 -1.757 0.219 -0.633 0.00 0.00 +0.074 A ATOM 6 C LIG 1 1.758 0.538 0.006 0.00 0.00 +0.202 A ATOM 7 N LIG 1 2.421 1.643 0.213 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -1.613 1.586 -0.517 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 1.740 2.838 0.137 0.00 0.00 +0.128 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 -0.532 7.879 -1.032 0.00 0.00 +0.067 C ATOM 11 C LIG 1 -0.552 6.471 -0.566 0.00 0.00 +0.061 A ATOM 12 N LIG 1 -1.516 6.040 0.258 0.00 0.00 -0.176 NA ATOM 13 N LIG 1 -1.220 4.738 0.472 0.00 0.00 -0.266 N ATOM 14 C LIG 1 -2.071 3.999 1.378 0.00 0.00 +0.173 C ATOM 15 C LIG 1 -0.086 4.324 -0.192 0.00 0.00 +0.074 A ATOM 16 C LIG 1 0.360 5.443 -0.875 0.00 0.00 +0.052 A ENDBRANCH 1 15 BRANCH 6 17 ATOM 17 N LIG 1 2.368 -0.697 0.027 0.00 0.00 -0.310 N ATOM 18 H LIG 1 1.854 -1.500 -0.309 0.00 0.00 +0.149 HD BRANCH 17 19 ATOM 19 C LIG 1 3.809 -0.857 0.004 0.00 0.00 +0.143 C BRANCH 19 20 ATOM 20 C LIG 1 4.202 -1.746 -1.142 0.00 0.00 +0.012 A ATOM 21 C LIG 1 4.206 -3.135 -1.050 0.00 0.00 +0.005 A ATOM 22 C LIG 1 3.829 -4.027 0.075 0.00 0.00 +0.080 C ATOM 23 C LIG 1 4.352 -5.357 -0.468 0.00 0.00 +0.234 C ATOM 24 O LIG 1 4.464 -5.267 -1.909 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 4.527 -3.920 -2.152 0.00 0.00 +0.124 A ATOM 26 C LIG 1 4.848 -3.377 -3.381 0.00 0.00 +0.049 A ATOM 27 C LIG 1 4.850 -1.988 -3.497 0.00 0.00 +0.042 A ATOM 28 C LIG 1 4.530 -1.191 -2.390 0.00 0.00 +0.129 A ATOM 29 F LIG 1 4.522 0.141 -2.551 0.00 0.00 -0.205 F ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 5 30 ATOM 30 C LIG 1 -3.096 -0.397 -0.903 0.00 0.00 +0.138 C BRANCH 30 31 ATOM 31 N LIG 1 -4.130 0.205 -0.050 0.00 0.00 -0.307 NA ATOM 32 H LIG 1 -4.004 1.217 -0.129 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 -4.006 -0.155 1.365 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 C LIG 1 -4.227 -1.623 1.653 0.00 0.00 -0.034 A ATOM 35 C LIG 1 -3.305 -2.342 2.429 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -3.525 -3.691 2.720 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.668 -4.333 2.243 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.595 -3.628 1.476 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.377 -2.280 1.187 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8