REMARK Name = BDB026620 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.626 1.351 0.056 0.00 0.00 +0.009 A ATOM 2 C LIG 1 -0.737 1.127 1.107 0.00 0.00 +0.016 A ATOM 3 C LIG 1 0.513 0.547 0.864 0.00 0.00 +0.024 A ATOM 4 C LIG 1 0.899 0.196 -0.435 0.00 0.00 +0.034 A ATOM 5 C LIG 1 0.017 0.443 -1.487 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -1.234 1.025 -1.243 0.00 0.00 +0.016 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.175 -0.389 -0.589 0.00 0.00 -0.284 N ATOM 8 H LIG 1 2.704 -0.489 0.271 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 2.794 -0.769 -1.768 0.00 0.00 +0.237 C ATOM 10 O LIG 1 2.310 -0.680 -2.895 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 4.158 -1.417 -1.596 0.00 0.00 +0.218 C BRANCH 11 12 ATOM 12 N LIG 1 4.984 -0.793 -0.582 0.00 0.00 -0.328 N ATOM 13 C LIG 1 5.481 0.478 -0.626 0.00 0.00 +0.199 A ATOM 14 N LIG 1 6.155 0.760 0.466 0.00 0.00 -0.244 NA ATOM 15 C LIG 1 6.117 -0.379 1.226 0.00 0.00 +0.130 A ATOM 16 C LIG 1 5.391 -1.361 0.593 0.00 0.00 +0.107 A ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 4 7 BRANCH 1 17 ATOM 17 S LIG 1 -3.199 2.126 0.358 0.00 0.00 -0.119 S BRANCH 17 19 ATOM 18 C LIG 1 -4.411 -0.202 -0.627 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -4.328 0.677 0.627 0.00 0.00 +0.013 C ATOM 20 C LIG 1 -3.885 -0.153 1.838 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -5.718 1.272 0.911 0.00 0.00 +0.022 C ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 5