REMARK Name = BDB019350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.149 -1.984 -1.266 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.328 -2.321 -2.070 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -2.662 -2.298 -1.706 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -3.534 -2.520 -2.553 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -0.943 -2.659 -3.435 0.00 0.00 +0.140 C ATOM 6 C LIG 1 0.589 -2.636 -3.449 0.00 0.00 +0.134 C ATOM 7 C LIG 1 0.968 -2.755 -1.970 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.245 -0.117 -0.496 0.00 0.00 -0.310 N ATOM 9 H LIG 1 1.567 -0.768 0.210 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.167 -0.468 -1.281 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -0.471 0.347 -1.946 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 1.641 1.262 -0.328 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 5.946 1.498 0.023 0.00 0.00 -0.010 A ATOM 14 C LIG 1 5.136 1.554 1.166 0.00 0.00 +0.009 A ATOM 15 C LIG 1 3.745 1.489 1.062 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.135 1.359 -0.196 0.00 0.00 -0.030 A ATOM 17 C LIG 1 3.942 1.293 -1.341 0.00 0.00 +0.006 A ATOM 18 C LIG 1 5.333 1.370 -1.232 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 7.761 3.805 1.411 0.00 0.00 +0.067 C ATOM 20 C LIG 1 8.207 2.555 0.738 0.00 0.00 +0.053 A ATOM 21 C LIG 1 7.405 1.588 0.142 0.00 0.00 +0.042 A ATOM 22 S LIG 1 8.400 0.349 -0.519 0.00 0.00 -0.075 S ATOM 23 C LIG 1 9.787 1.185 0.027 0.00 0.00 +0.156 A ATOM 24 N LIG 1 9.571 2.309 0.670 0.00 0.00 -0.252 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 O LIG 1 1.164 -3.701 -4.191 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 0.761 -4.537 -3.901 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 -3.031 -1.917 -0.245 0.00 0.00 +0.164 C BRANCH 27 28 ATOM 28 C LIG 1 -4.403 -2.475 0.269 0.00 0.00 -0.011 C ATOM 29 C LIG 1 -4.449 -4.007 0.105 0.00 0.00 +0.013 C ATOM 30 C LIG 1 -4.532 -2.174 1.783 0.00 0.00 +0.013 C ATOM 31 C LIG 1 -5.625 -1.847 -0.434 0.00 0.00 +0.013 C ENDBRANCH 27 28 BRANCH 27 32 ATOM 32 N LIG 1 -2.997 -0.454 -0.174 0.00 0.00 -0.303 N ATOM 33 H LIG 1 -3.463 0.055 -0.920 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -2.186 0.238 0.694 0.00 0.00 +0.218 C ATOM 35 O LIG 1 -1.418 -0.315 1.480 0.00 0.00 -0.275 OA BRANCH 34 36 ATOM 36 C LIG 1 -2.316 1.746 0.599 0.00 0.00 +0.130 C BRANCH 36 37 ATOM 37 C LIG 1 -3.256 2.302 1.636 0.00 0.00 -0.039 A ATOM 38 C LIG 1 -2.759 2.769 2.862 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -3.628 3.287 3.823 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.999 3.332 3.577 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.506 2.857 2.366 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -4.641 2.343 1.399 0.00 0.00 +0.004 A ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 27 32 ENDBRANCH 3 27 TORSDOF 10