REMARK Name = BDB046482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.375 1.270 -0.034 0.00 0.00 +0.164 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.723 2.008 -0.202 0.00 0.00 +0.238 C ATOM 3 N LIG 1 -2.757 3.231 0.449 0.00 0.00 -0.284 N ATOM 4 H LIG 1 -1.967 3.454 1.042 0.00 0.00 +0.155 HD ATOM 5 O LIG 1 -3.618 1.528 -0.899 0.00 0.00 -0.273 OA BRANCH 3 6 ATOM 6 C LIG 1 -3.803 4.176 0.448 0.00 0.00 +0.033 A ATOM 7 C LIG 1 -4.987 4.034 -0.279 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -5.976 5.026 -0.230 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -5.789 6.173 0.546 0.00 0.00 +0.059 A ATOM 10 C LIG 1 -4.606 6.320 1.276 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -3.621 5.328 1.226 0.00 0.00 +0.024 A BRANCH 9 12 ATOM 12 C LIG 1 -6.806 7.250 0.624 0.00 0.00 +0.337 C ATOM 13 O LIG 1 -6.708 8.276 1.273 0.00 0.00 -0.245 OA BRANCH 12 14 ATOM 14 O LIG 1 -7.895 6.995 -0.120 0.00 0.00 -0.477 OA ATOM 15 H LIG 1 -8.471 7.775 0.027 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 9 12 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 N LIG 1 -1.644 -0.150 -0.259 0.00 0.00 -0.300 N ATOM 17 H LIG 1 -1.995 -0.387 -1.178 0.00 0.00 +0.150 HD ATOM 18 C LIG 1 -2.013 -0.943 0.795 0.00 0.00 +0.238 C ATOM 19 O LIG 1 -1.818 -0.674 1.972 0.00 0.00 -0.271 OA BRANCH 18 20 ATOM 20 C LIG 1 -2.699 -2.202 0.425 0.00 0.00 +0.068 C ATOM 21 C LIG 1 -3.674 -2.237 -0.497 0.00 0.00 +0.015 C BRANCH 21 22 ATOM 22 C LIG 1 -4.399 -3.475 -0.795 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -5.704 -3.794 -0.360 0.00 0.00 +0.076 A ATOM 24 C LIG 1 -6.261 -5.036 -0.746 0.00 0.00 +0.030 A ATOM 25 C LIG 1 -5.548 -5.939 -1.539 0.00 0.00 +0.022 A ATOM 26 C LIG 1 -4.266 -5.618 -1.960 0.00 0.00 +0.042 A ATOM 27 CL LIG 1 -3.380 -6.721 -2.935 0.00 0.00 -0.084 Cl ATOM 28 C LIG 1 -3.696 -4.401 -1.594 0.00 0.00 +0.030 A BRANCH 23 29 ATOM 29 N LIG 1 -6.515 -2.947 0.454 0.00 0.00 -0.200 N ATOM 30 N LIG 1 -7.769 -3.328 0.826 0.00 0.00 -0.039 NA ATOM 31 N LIG 1 -8.259 -2.345 1.565 0.00 0.00 -0.023 NA ATOM 32 N LIG 1 -7.356 -1.328 1.682 0.00 0.00 -0.116 NA ATOM 33 C LIG 1 -6.296 -1.706 1.002 0.00 0.00 +0.250 A ENDBRANCH 23 29 ENDBRANCH 21 22 ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 1 34 ATOM 34 C LIG 1 -0.374 1.841 -1.048 0.00 0.00 +0.067 C BRANCH 34 38 ATOM 35 C LIG 1 3.639 0.297 -0.513 0.00 0.00 +0.035 A ATOM 36 C LIG 1 2.819 -0.189 -1.538 0.00 0.00 +0.023 A ATOM 37 C LIG 1 1.525 0.311 -1.716 0.00 0.00 +0.005 A ATOM 38 C LIG 1 1.025 1.303 -0.866 0.00 0.00 -0.045 A ATOM 39 C LIG 1 1.841 1.779 0.167 0.00 0.00 +0.005 A ATOM 40 C LIG 1 3.135 1.277 0.343 0.00 0.00 +0.023 A BRANCH 35 47 ATOM 41 C LIG 1 10.660 -2.966 0.386 0.00 0.00 +0.105 C ATOM 42 N LIG 1 9.566 -2.016 0.214 0.00 0.00 -0.302 NA ATOM 43 C LIG 1 8.344 -2.670 -0.290 0.00 0.00 +0.103 C ATOM 44 C LIG 1 7.010 -2.111 0.259 0.00 0.00 +0.124 C ATOM 45 N LIG 1 7.051 -0.662 0.474 0.00 0.00 -0.283 N ATOM 46 C LIG 1 5.972 0.211 0.369 0.00 0.00 +0.307 C ATOM 47 N LIG 1 4.925 -0.267 -0.386 0.00 0.00 -0.269 N ATOM 48 H LIG 1 5.184 -0.925 -1.102 0.00 0.00 +0.156 HD ATOM 49 O LIG 1 5.995 1.318 0.906 0.00 0.00 -0.252 OA ATOM 50 C LIG 1 8.222 -0.174 1.211 0.00 0.00 +0.124 C ATOM 51 C LIG 1 9.309 -1.244 1.437 0.00 0.00 +0.103 C ENDBRANCH 35 47 ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 11