REMARK Name = BDB008979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.126 0.732 1.378 0.00 0.00 -0.023 A ATOM 2 C LIG 1 2.382 -0.403 1.674 0.00 0.00 +0.115 A ATOM 3 N LIG 1 1.185 -0.702 1.120 0.00 0.00 -0.253 NA ATOM 4 C LIG 1 0.657 0.177 0.223 0.00 0.00 +0.089 A ATOM 5 C LIG 1 1.330 1.353 -0.110 0.00 0.00 +0.030 A ATOM 6 C LIG 1 2.565 1.634 0.474 0.00 0.00 +0.007 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -0.657 -0.177 -0.367 0.00 0.00 +0.089 A ATOM 8 N LIG 1 -1.185 0.702 -1.264 0.00 0.00 -0.253 NA ATOM 9 C LIG 1 -2.382 0.403 -1.818 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -3.126 -0.732 -1.522 0.00 0.00 -0.023 A ATOM 11 C LIG 1 -2.565 -1.634 -0.618 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -1.330 -1.353 -0.034 0.00 0.00 +0.030 A BRANCH 10 13 ATOM 13 C LIG 1 -4.446 -0.987 -2.199 0.00 0.00 +0.094 C BRANCH 13 14 ATOM 14 C LIG 1 -5.550 -1.436 -1.245 0.00 0.00 +0.069 A ATOM 15 C LIG 1 -6.317 -0.414 -0.467 0.00 0.00 -0.016 A ATOM 16 C LIG 1 -5.999 1.050 -0.588 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -6.663 1.910 0.492 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -8.109 1.489 0.723 0.00 0.00 +0.005 C ATOM 19 C LIG 1 -8.189 0.021 1.147 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -7.296 -0.874 0.333 0.00 0.00 +0.023 A ATOM 21 C LIG 1 -7.548 -2.333 0.439 0.00 0.00 +0.268 A ATOM 22 O LIG 1 -8.420 -2.788 1.171 0.00 0.00 -0.266 OA ATOM 23 N LIG 1 -6.747 -3.135 -0.329 0.00 0.00 -0.243 N ATOM 24 H LIG 1 -6.906 -4.136 -0.273 0.00 0.00 +0.192 HD ATOM 25 N LIG 1 -5.764 -2.716 -1.168 0.00 0.00 -0.175 NA ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 C LIG 1 4.446 0.987 2.055 0.00 0.00 +0.094 C BRANCH 26 35 ATOM 27 O LIG 1 8.420 2.788 -1.315 0.00 0.00 -0.266 OA ATOM 28 C LIG 1 7.548 2.333 -0.583 0.00 0.00 +0.268 A ATOM 29 C LIG 1 7.296 0.874 -0.477 0.00 0.00 +0.023 A ATOM 30 C LIG 1 8.189 -0.021 -1.291 0.00 0.00 +0.041 C ATOM 31 C LIG 1 8.109 -1.489 -0.867 0.00 0.00 +0.005 C ATOM 32 C LIG 1 6.663 -1.910 -0.636 0.00 0.00 +0.005 C ATOM 33 C LIG 1 5.999 -1.050 0.444 0.00 0.00 +0.037 C ATOM 34 C LIG 1 6.317 0.414 0.323 0.00 0.00 -0.016 A ATOM 35 C LIG 1 5.550 1.436 1.101 0.00 0.00 +0.069 A ATOM 36 N LIG 1 5.764 2.716 1.024 0.00 0.00 -0.175 NA ATOM 37 N LIG 1 6.747 3.135 0.184 0.00 0.00 -0.243 N ATOM 38 H LIG 1 6.906 4.136 0.129 0.00 0.00 +0.192 HD ENDBRANCH 26 35 ENDBRANCH 1 26 TORSDOF 5