REMARK Name = BDB058489 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.318 -0.186 0.386 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.028 -1.499 0.033 0.00 0.00 +0.027 A ATOM 3 S LIG 1 1.465 -2.412 -0.213 0.00 0.00 -0.091 S ATOM 4 C LIG 1 2.475 -1.087 0.163 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.732 0.035 0.468 0.00 0.00 +0.021 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -2.691 2.787 1.180 0.00 0.00 -0.042 A ATOM 7 C LIG 1 -2.660 2.092 -0.039 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.681 1.125 -0.303 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -0.708 0.819 0.650 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -0.714 1.508 1.864 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -1.692 2.475 2.123 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 12 C LIG 1 -4.532 3.443 2.772 0.00 0.00 +0.015 C ATOM 13 C LIG 1 -3.753 3.853 1.503 0.00 0.00 -0.013 C ATOM 14 C LIG 1 -4.792 4.059 0.378 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -3.064 5.213 1.746 0.00 0.00 +0.015 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 -1.264 -2.183 -0.115 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -2.154 -2.251 0.960 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -3.394 -2.885 0.819 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -3.789 -3.471 -0.399 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -2.883 -3.397 -1.469 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -1.641 -2.762 -1.330 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 -5.162 -4.155 -0.516 0.00 0.00 -0.013 C ATOM 23 C LIG 1 -5.457 -4.725 -1.922 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -5.240 -5.332 0.480 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -6.279 -3.140 -0.193 0.00 0.00 +0.015 C ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 26 ATOM 26 C LIG 1 3.967 -1.237 0.146 0.00 0.00 +0.123 C BRANCH 26 27 ATOM 27 N LIG 1 4.556 -0.281 -0.794 0.00 0.00 -0.311 NA ATOM 28 H LIG 1 4.158 -0.448 -1.718 0.00 0.00 +0.122 HD BRANCH 27 29 ATOM 29 C LIG 1 6.011 -0.420 -0.849 0.00 0.00 +0.084 C BRANCH 29 30 ATOM 30 C LIG 1 6.625 0.604 -1.828 0.00 0.00 +0.005 C ATOM 31 C LIG 1 6.362 2.064 -1.420 0.00 0.00 +0.020 C ATOM 32 C LIG 1 7.185 2.480 -0.200 0.00 0.00 +0.081 C ATOM 33 N LIG 1 8.620 2.271 -0.417 0.00 0.00 -0.316 NA ATOM 34 H LIG 1 8.922 2.860 -1.194 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 8.914 0.873 -0.735 0.00 0.00 +0.081 C ATOM 36 C LIG 1 8.143 0.390 -1.965 0.00 0.00 +0.020 C ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 8