REMARK Name = BDB064976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.458 2.268 -2.415 0.00 0.00 +0.017 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.801 1.550 -2.255 0.00 0.00 +0.020 C BRANCH 2 3 ATOM 3 C LIG 1 -3.653 2.119 -1.122 0.00 0.00 +0.104 C BRANCH 3 6 ATOM 4 O LIG 1 -5.734 3.044 -2.835 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -5.961 2.142 -2.030 0.00 0.00 +0.230 C ATOM 6 N LIG 1 -5.011 1.629 -1.176 0.00 0.00 -0.314 N ATOM 7 H LIG 1 -5.333 0.913 -0.526 0.00 0.00 +0.149 HD BRANCH 5 8 ATOM 8 C LIG 1 -7.333 1.467 -1.928 0.00 0.00 +0.197 C BRANCH 8 9 ATOM 9 N LIG 1 -7.497 0.684 -0.682 0.00 0.00 -0.335 N ATOM 10 H LIG 1 -7.949 -0.219 -0.878 0.00 0.00 +0.147 HD BRANCH 9 11 ATOM 11 C LIG 1 -8.114 1.319 0.405 0.00 0.00 +0.040 A ATOM 12 C LIG 1 -8.960 0.624 1.262 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -9.474 -0.743 1.175 0.00 0.00 +0.256 C ATOM 14 N LIG 1 -10.268 -0.946 2.268 0.00 0.00 -0.222 N ATOM 15 C LIG 1 -10.383 0.195 3.015 0.00 0.00 +0.255 C ATOM 16 O LIG 1 -11.083 0.406 3.988 0.00 0.00 -0.270 OA ATOM 17 O LIG 1 -9.231 -1.507 0.258 0.00 0.00 -0.269 OA ATOM 18 C LIG 1 -9.526 1.198 2.389 0.00 0.00 +0.051 A ATOM 19 C LIG 1 -9.280 2.506 2.750 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -8.415 3.232 1.931 0.00 0.00 +0.003 A ATOM 21 C LIG 1 -7.836 2.643 0.783 0.00 0.00 +0.024 A BRANCH 14 22 ATOM 22 C LIG 1 -11.046 -2.149 2.534 0.00 0.00 +0.171 C ATOM 23 C LIG 1 -10.129 -3.371 2.529 0.00 0.00 +0.240 C ATOM 24 O LIG 1 -9.164 -3.478 3.285 0.00 0.00 -0.273 OA ATOM 25 N LIG 1 -10.386 -4.334 1.582 0.00 0.00 -0.255 N ATOM 26 H LIG 1 -9.743 -5.115 1.572 0.00 0.00 +0.158 HD ATOM 27 C LIG 1 -11.133 -4.199 0.439 0.00 0.00 +0.219 C ATOM 28 O LIG 1 -11.072 -5.040 -0.454 0.00 0.00 -0.275 OA ATOM 29 C LIG 1 -11.979 -2.954 0.308 0.00 0.00 +0.098 C ATOM 30 C LIG 1 -12.284 -2.321 1.655 0.00 0.00 +0.041 C ENDBRANCH 14 22 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 3 6 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 31 ATOM 31 C LIG 1 -0.555 2.253 -1.172 0.00 0.00 +0.084 C BRANCH 31 32 ATOM 32 N LIG 1 -0.289 0.916 -0.611 0.00 0.00 -0.299 NA ATOM 33 C LIG 1 0.486 0.050 -1.525 0.00 0.00 +0.103 C ATOM 34 C LIG 1 2.005 0.336 -1.573 0.00 0.00 +0.120 C ATOM 35 N LIG 1 2.609 0.325 -0.227 0.00 0.00 -0.327 N ATOM 36 C LIG 1 1.676 0.159 0.896 0.00 0.00 +0.120 C ATOM 37 C LIG 1 0.422 1.049 0.692 0.00 0.00 +0.103 C BRANCH 35 38 ATOM 38 C LIG 1 3.976 0.119 -0.101 0.00 0.00 +0.030 A ATOM 39 C LIG 1 4.552 -0.491 1.023 0.00 0.00 +0.024 A ATOM 40 C LIG 1 5.940 -0.681 1.140 0.00 0.00 +0.010 A ATOM 41 C LIG 1 6.807 -0.258 0.128 0.00 0.00 -0.013 A ATOM 42 C LIG 1 6.253 0.368 -0.990 0.00 0.00 +0.010 A ATOM 43 C LIG 1 4.867 0.546 -1.099 0.00 0.00 +0.024 A BRANCH 41 44 ATOM 44 C LIG 1 8.272 -0.442 0.221 0.00 0.00 +0.045 A ATOM 45 C LIG 1 9.229 0.591 0.014 0.00 0.00 +0.173 A ATOM 46 N LIG 1 10.553 0.236 0.076 0.00 0.00 -0.253 N ATOM 47 C LIG 1 11.254 1.395 -0.091 0.00 0.00 +0.232 A ATOM 48 N LIG 1 10.423 2.389 -0.303 0.00 0.00 -0.137 NA ATOM 49 C LIG 1 10.984 -1.074 0.306 0.00 0.00 +0.203 A ATOM 50 N LIG 1 10.110 -2.018 0.531 0.00 0.00 -0.223 NA ATOM 51 N LIG 1 9.141 1.883 -0.237 0.00 0.00 -0.129 NA ATOM 52 C LIG 1 8.771 -1.674 0.472 0.00 0.00 +0.126 A BRANCH 49 53 ATOM 53 N LIG 1 12.326 -1.378 0.323 0.00 0.00 -0.307 N ATOM 54 H LIG 1 12.438 -2.305 0.729 0.00 0.00 +0.149 HD BRANCH 53 55 ATOM 55 C LIG 1 13.089 -1.334 -0.926 0.00 0.00 +0.178 C BRANCH 55 56 ATOM 56 C LIG 1 14.554 -1.205 -0.712 0.00 0.00 +0.122 A ATOM 57 O LIG 1 15.070 0.057 -0.788 0.00 0.00 -0.466 OA ATOM 58 C LIG 1 16.404 -0.045 -0.559 0.00 0.00 +0.195 A ATOM 59 C LIG 1 16.755 -1.356 -0.337 0.00 0.00 +0.041 A ATOM 60 C LIG 1 15.559 -2.109 -0.436 0.00 0.00 +0.046 A ENDBRANCH 55 56 ENDBRANCH 53 55 ENDBRANCH 49 53 ENDBRANCH 41 44 ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 14