REMARK Name = BDB010676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.390 -0.049 -0.446 0.00 0.00 -0.309 N ATOM 2 C LIG 1 0.682 -0.847 -0.786 0.00 0.00 +0.111 A ATOM 3 C LIG 1 0.271 -1.450 -1.968 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.019 -2.297 -2.691 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 2.211 -2.533 -2.138 0.00 0.00 +0.220 A ATOM 6 N LIG 1 2.690 -2.023 -0.980 0.00 0.00 -0.226 NA ATOM 7 N LIG 1 -1.003 -1.103 -2.300 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 1.939 -1.146 -0.260 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -1.423 -0.340 -1.319 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.110 -3.461 -2.855 0.00 0.00 +0.287 A ATOM 11 O LIG 1 2.624 -3.987 -4.010 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 3.628 -4.787 -4.455 0.00 0.00 +0.436 A ATOM 13 O LIG 1 3.614 -5.458 -5.470 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 4.639 -4.682 -3.540 0.00 0.00 -0.208 N ATOM 15 H LIG 1 5.527 -5.162 -3.589 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 4.311 -3.841 -2.525 0.00 0.00 -0.127 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 2.509 -0.692 1.066 0.00 0.00 +0.044 C ATOM 18 C LIG 1 4.038 -0.499 1.032 0.00 0.00 +0.038 C ATOM 19 C LIG 1 4.749 -1.712 1.614 0.00 0.00 +0.160 C ATOM 20 O LIG 1 4.406 -1.927 2.985 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 3.063 -1.604 3.339 0.00 0.00 +0.160 C ATOM 22 C LIG 1 2.098 -1.683 2.167 0.00 0.00 +0.038 C ENDBRANCH 8 17 BRANCH 9 23 ATOM 23 N LIG 1 -2.674 0.173 -1.163 0.00 0.00 -0.289 N ATOM 24 C LIG 1 -3.610 -0.449 -0.159 0.00 0.00 +0.132 C ATOM 25 C LIG 1 -4.855 -1.052 -0.864 0.00 0.00 +0.187 C ATOM 26 O LIG 1 -5.619 -0.070 -1.587 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 -4.798 0.935 -2.202 0.00 0.00 +0.179 C ATOM 28 C LIG 1 -3.355 0.478 -2.451 0.00 0.00 +0.136 C BRANCH 24 29 ATOM 29 C LIG 1 -2.983 -1.444 0.813 0.00 0.00 -0.025 A ATOM 30 C LIG 1 -2.841 -1.103 2.169 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -2.260 -1.995 3.073 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -1.816 -3.241 2.636 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -1.957 -3.599 1.298 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.542 -2.710 0.394 0.00 0.00 +0.005 A ENDBRANCH 24 29 ENDBRANCH 9 23 BRANCH 1 35 ATOM 35 C LIG 1 -0.442 0.957 0.600 0.00 0.00 +0.128 C BRANCH 35 40 ATOM 36 C LIG 1 -0.216 6.428 -0.127 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -0.568 5.141 0.621 0.00 0.00 -0.014 C ATOM 38 C LIG 1 0.691 4.553 1.282 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.519 3.067 1.569 0.00 0.00 +0.005 C ATOM 40 C LIG 1 0.341 2.247 0.274 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -0.315 3.081 -0.848 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -1.277 4.130 -0.300 0.00 0.00 +0.003 C ENDBRANCH 35 40 ENDBRANCH 1 35 TORSDOF 6