REMARK Name = BDB010288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.641 -2.237 -0.622 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -0.315 -1.499 0.451 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.354 -0.561 0.966 0.00 0.00 +0.265 A ATOM 4 O LIG 1 -0.995 0.261 1.812 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 -2.616 -0.641 0.390 0.00 0.00 -0.232 N ATOM 6 C LIG 1 -2.809 -1.433 -0.724 0.00 0.00 +0.122 A ATOM 7 N LIG 1 -1.870 -2.186 -1.212 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -3.620 0.204 0.950 0.00 0.00 +0.239 A ATOM 9 N LIG 1 -4.589 0.706 0.168 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 -5.515 1.512 0.740 0.00 0.00 +0.161 A ATOM 11 C LIG 1 -5.540 1.845 2.072 0.00 0.00 +0.157 A ATOM 12 C LIG 1 -4.528 1.274 2.801 0.00 0.00 +0.161 A ATOM 13 N LIG 1 -3.585 0.461 2.272 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 -6.530 2.668 2.499 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 -6.523 3.011 3.887 0.00 0.00 +0.226 C ATOM 16 C LIG 1 -7.688 3.950 4.143 0.00 0.00 +0.048 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 17 ATOM 17 C LIG 1 -4.184 -1.580 -1.421 0.00 0.00 +0.050 C ATOM 18 C LIG 1 -4.076 -2.256 -2.797 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -5.136 -2.396 -0.542 0.00 0.00 +0.015 C ENDBRANCH 6 17 BRANCH 1 20 ATOM 20 C LIG 1 0.294 -3.236 -1.285 0.00 0.00 +0.056 C BRANCH 20 22 ATOM 21 C LIG 1 1.233 -1.658 -3.066 0.00 0.00 +0.004 C ATOM 22 C LIG 1 0.531 -2.977 -2.780 0.00 0.00 +0.003 C ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 2 23 ATOM 23 C LIG 1 0.987 -1.546 1.215 0.00 0.00 +0.079 C BRANCH 23 24 ATOM 24 C LIG 1 2.104 -0.734 0.605 0.00 0.00 -0.025 A ATOM 25 C LIG 1 3.289 -1.337 0.199 0.00 0.00 +0.115 A ATOM 26 N LIG 1 4.341 -0.676 -0.350 0.00 0.00 -0.255 NA ATOM 27 C LIG 1 4.211 0.664 -0.522 0.00 0.00 +0.072 A ATOM 28 C LIG 1 3.069 1.357 -0.126 0.00 0.00 +0.028 A ATOM 29 C LIG 1 2.015 0.651 0.450 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 C LIG 1 5.336 1.346 -1.178 0.00 0.00 +0.011 A ATOM 31 C LIG 1 6.610 1.519 -0.593 0.00 0.00 +0.030 A ATOM 32 C LIG 1 7.598 2.262 -1.268 0.00 0.00 +0.012 A ATOM 33 C LIG 1 7.350 2.808 -2.526 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.112 2.621 -3.126 0.00 0.00 +0.001 A ATOM 35 C LIG 1 5.117 1.902 -2.458 0.00 0.00 +0.011 A BRANCH 31 36 ATOM 36 C LIG 1 7.005 0.978 0.723 0.00 0.00 +0.183 A ATOM 37 N LIG 1 6.514 -0.176 1.181 0.00 0.00 -0.271 N ATOM 38 H LIG 1 5.834 -0.777 0.734 0.00 0.00 +0.174 HD ATOM 39 C LIG 1 7.080 -0.405 2.373 0.00 0.00 +0.440 A ATOM 40 O LIG 1 6.871 -1.363 3.101 0.00 0.00 -0.221 OA ATOM 41 O LIG 1 7.941 0.629 2.645 0.00 0.00 -0.295 OA ATOM 42 N LIG 1 7.868 1.517 1.522 0.00 0.00 -0.054 NA ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 10