REMARK Name = BDB036283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.561 1.523 0.329 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.447 2.608 -0.575 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.450 2.577 -1.648 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.398 3.787 -2.419 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.515 4.691 -1.937 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.254 1.425 -1.825 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.166 0.324 -0.957 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -1.318 4.104 -0.557 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.267 0.398 0.108 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.501 1.496 1.517 0.00 0.00 +0.145 C BRANCH 10 22 ATOM 11 C LIG 1 -4.934 1.219 1.278 0.00 0.00 +0.191 C ATOM 12 O LIG 1 -5.726 0.186 1.887 0.00 0.00 -0.470 OA ATOM 13 C LIG 1 -5.291 -1.097 1.937 0.00 0.00 +0.242 A ATOM 14 C LIG 1 -4.055 -1.526 2.380 0.00 0.00 +0.168 A ATOM 15 C LIG 1 -3.769 -2.896 2.429 0.00 0.00 +0.055 A ATOM 16 C LIG 1 -4.745 -3.796 2.030 0.00 0.00 +0.061 A ATOM 17 C LIG 1 -5.960 -3.295 1.598 0.00 0.00 +0.134 A ATOM 18 CL LIG 1 -4.447 -5.484 2.063 0.00 0.00 -0.082 Cl ATOM 19 S LIG 1 -2.847 -0.364 2.855 0.00 0.00 +0.066 S ATOM 20 O LIG 1 -3.431 0.585 3.772 0.00 0.00 -0.153 OA ATOM 21 O LIG 1 -1.638 -1.079 3.211 0.00 0.00 -0.153 OA ATOM 22 N LIG 1 -2.518 0.415 1.386 0.00 0.00 -0.169 NA ATOM 23 N LIG 1 -6.248 -1.971 1.544 0.00 0.00 -0.218 NA ATOM 24 C LIG 1 -3.672 0.785 0.507 0.00 0.00 +0.154 C BRANCH 11 26 ATOM 25 C LIG 1 -6.442 1.224 -0.809 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -5.887 2.019 0.366 0.00 0.00 +0.042 C ENDBRANCH 11 26 ENDBRANCH 10 22 ENDBRANCH 1 10 BRANCH 7 27 ATOM 27 C LIG 1 2.080 -0.883 -1.198 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 3.513 -0.606 -0.719 0.00 0.00 -0.034 A ATOM 29 C LIG 1 4.614 -0.582 -1.623 0.00 0.00 -0.017 A ATOM 30 C LIG 1 4.454 -0.848 -3.094 0.00 0.00 +0.046 C ATOM 31 C LIG 1 5.891 -0.298 -1.087 0.00 0.00 +0.116 A ATOM 32 N LIG 1 7.109 -0.196 -1.714 0.00 0.00 -0.129 NA ATOM 33 N LIG 1 8.027 0.089 -0.800 0.00 0.00 -0.065 NA ATOM 34 N LIG 1 7.401 0.156 0.388 0.00 0.00 -0.247 N ATOM 35 C LIG 1 8.169 0.440 1.570 0.00 0.00 +0.175 C ATOM 36 C LIG 1 6.056 -0.067 0.273 0.00 0.00 +0.089 A ATOM 37 C LIG 1 5.000 -0.095 1.181 0.00 0.00 +0.030 A ATOM 38 C LIG 1 3.733 -0.364 0.656 0.00 0.00 +0.007 A ENDBRANCH 27 28 BRANCH 27 39 ATOM 39 C LIG 1 1.526 -2.206 -0.637 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 2.221 -3.394 -1.249 0.00 0.00 +0.306 C ATOM 41 O LIG 1 3.119 -4.018 -0.707 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 1.751 -3.721 -2.474 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 1.006 -3.175 -2.788 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 27 39 ENDBRANCH 7 27 TORSDOF 8