REMARK Name = BDB043093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.026 0.607 -1.720 0.00 0.00 +0.225 C ATOM 2 N LIG 1 -2.318 0.217 -0.593 0.00 0.00 -0.299 N ATOM 3 C LIG 1 -0.920 0.659 -0.496 0.00 0.00 +0.130 C ATOM 4 C LIG 1 -0.132 -0.048 0.618 0.00 0.00 +0.097 C ATOM 5 C LIG 1 -0.842 0.038 1.975 0.00 0.00 +0.014 C ATOM 6 C LIG 1 -0.216 1.274 2.618 0.00 0.00 +0.028 C ATOM 7 C LIG 1 1.244 1.245 2.140 0.00 0.00 +0.077 C ATOM 8 C LIG 1 1.786 2.673 2.031 0.00 0.00 +0.022 C ATOM 9 C LIG 1 3.295 2.765 1.836 0.00 0.00 +0.004 C ATOM 10 C LIG 1 3.796 2.146 0.535 0.00 0.00 +0.032 C ATOM 11 C LIG 1 3.658 0.625 0.515 0.00 0.00 +0.159 C ATOM 12 C LIG 1 2.253 0.182 0.068 0.00 0.00 +0.236 C ATOM 13 O LIG 1 2.103 -0.494 -0.956 0.00 0.00 -0.274 OA ATOM 14 C LIG 1 -2.366 0.117 1.869 0.00 0.00 +0.024 C ATOM 15 N LIG 1 1.184 0.542 0.860 0.00 0.00 -0.292 N ATOM 16 C LIG 1 -2.862 -0.501 0.564 0.00 0.00 +0.108 C ATOM 17 O LIG 1 -2.487 1.329 -2.572 0.00 0.00 -0.275 OA ENDROOT BRANCH 11 18 ATOM 18 N LIG 1 4.603 0.033 -0.433 0.00 0.00 -0.303 N ATOM 19 H LIG 1 4.189 -0.393 -1.258 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 5.914 -0.210 -0.102 0.00 0.00 +0.230 C ATOM 21 O LIG 1 6.402 0.179 0.961 0.00 0.00 -0.274 OA BRANCH 20 22 ATOM 22 C LIG 1 6.756 -0.921 -1.195 0.00 0.00 +0.137 C ATOM 23 C LIG 1 6.118 -2.232 -1.645 0.00 0.00 +0.034 C BRANCH 22 24 ATOM 24 N LIG 1 8.098 -1.215 -0.643 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 8.253 -0.580 0.149 0.00 0.00 +0.122 HD ATOM 26 C LIG 1 9.148 -1.015 -1.630 0.00 0.00 +0.101 C ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 11 18 BRANCH 1 27 ATOM 27 C LIG 1 -4.470 0.151 -1.975 0.00 0.00 +0.131 C BRANCH 27 28 ATOM 28 C LIG 1 -5.505 0.713 -1.007 0.00 0.00 -0.033 A ATOM 29 C LIG 1 -6.538 -0.065 -0.463 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -7.479 0.496 0.404 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -7.414 1.848 0.731 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.409 2.642 0.187 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.467 2.082 -0.678 0.00 0.00 +0.004 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -4.509 -1.340 -2.361 0.00 0.00 +0.178 C BRANCH 34 35 ATOM 35 O LIG 1 -4.382 -2.212 -1.240 0.00 0.00 -0.366 OA BRANCH 35 36 ATOM 36 C LIG 1 -4.346 -3.583 -1.631 0.00 0.00 +0.247 C BRANCH 36 38 ATOM 37 C LIG 1 -4.154 -5.092 0.559 0.00 0.00 +0.006 C ATOM 38 C LIG 1 -4.240 -4.413 -0.428 0.00 0.00 -0.077 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 27 34 ENDBRANCH 1 27 TORSDOF 9