REMARK Name = BDB024872 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.158 -3.923 -1.179 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.942 -2.614 -0.713 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.102 -1.822 -0.253 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.388 -2.078 1.232 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.947 -0.341 -0.583 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.700 0.221 0.060 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.505 -0.645 -0.217 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.211 -0.089 -0.077 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.859 1.194 0.275 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.542 1.221 0.283 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.026 -0.003 -0.095 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.082 -0.860 -0.310 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.164 -2.201 -0.673 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.449 -2.750 -0.798 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.628 -2.013 -0.585 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.329 -4.673 -1.681 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.742 -5.642 -1.487 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.462 -4.318 -1.028 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.379 -0.308 -0.330 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.177 -0.515 0.948 0.00 0.00 +0.236 C ATOM 21 N LIG 1 3.562 -0.631 0.820 0.00 0.00 -0.291 N ATOM 22 C LIG 1 4.226 -0.821 -0.481 0.00 0.00 +0.182 C ATOM 23 C LIG 1 5.710 -0.665 -0.399 0.00 0.00 +0.127 A ATOM 24 N LIG 1 6.353 -0.354 0.771 0.00 0.00 -0.332 N ATOM 25 C LIG 1 7.691 -0.296 0.531 0.00 0.00 +0.107 A ATOM 26 C LIG 1 7.814 -0.585 -0.808 0.00 0.00 +0.130 A ATOM 27 C LIG 1 5.665 -0.155 2.027 0.00 0.00 +0.142 C ATOM 28 N LIG 1 6.585 -0.819 -1.373 0.00 0.00 -0.239 NA ATOM 29 C LIG 1 4.349 -0.925 2.023 0.00 0.00 +0.130 C ATOM 30 O LIG 1 1.633 -0.575 2.052 0.00 0.00 -0.274 OA ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 0.286 2.409 0.644 0.00 0.00 +0.096 C BRANCH 31 32 ATOM 32 C LIG 1 0.570 3.280 -0.581 0.00 0.00 +0.132 C BRANCH 32 33 ATOM 33 N LIG 1 1.651 4.235 -0.334 0.00 0.00 -0.315 N ATOM 34 C LIG 1 2.965 3.765 -0.364 0.00 0.00 +0.251 A ATOM 35 O LIG 1 3.280 2.594 -0.571 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 4.026 4.777 -0.111 0.00 0.00 +0.070 A ATOM 37 C LIG 1 3.694 6.044 0.163 0.00 0.00 +0.007 A ATOM 38 C LIG 1 2.311 6.444 0.214 0.00 0.00 +0.018 A ATOM 39 C LIG 1 1.345 5.551 -0.031 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 6