REMARK Name = BDB015033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.245 0.938 -1.339 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.224 -0.014 -1.250 0.00 0.00 +0.121 A ATOM 3 C LIG 1 2.507 0.490 -1.012 0.00 0.00 +0.054 A ATOM 4 C LIG 1 3.623 -0.358 -0.894 0.00 0.00 -0.012 A ATOM 5 C LIG 1 3.412 -1.739 -1.023 0.00 0.00 +0.009 A ATOM 6 C LIG 1 2.135 -2.251 -1.261 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.042 -1.390 -1.376 0.00 0.00 +0.045 A BRANCH 4 8 ATOM 8 C LIG 1 4.976 0.194 -0.665 0.00 0.00 +0.008 A ATOM 9 C LIG 1 5.752 -0.178 0.455 0.00 0.00 +0.079 A ATOM 10 C LIG 1 7.038 0.398 0.597 0.00 0.00 +0.001 A ATOM 11 C LIG 1 7.819 0.043 1.706 0.00 0.00 +0.011 A ATOM 12 C LIG 1 7.329 -0.855 2.643 0.00 0.00 +0.020 A ATOM 13 C LIG 1 6.068 -1.371 2.437 0.00 0.00 +0.111 A ATOM 14 C LIG 1 7.529 1.310 -0.350 0.00 0.00 +0.010 A ATOM 15 C LIG 1 6.760 1.667 -1.448 0.00 0.00 +0.001 A ATOM 16 N LIG 1 5.291 -1.054 1.380 0.00 0.00 -0.254 NA ATOM 17 C LIG 1 5.494 1.113 -1.603 0.00 0.00 +0.010 A ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.096 0.472 -1.556 0.00 0.00 +0.261 C BRANCH 18 19 ATOM 19 C LIG 1 -2.005 1.708 -1.586 0.00 0.00 +0.166 C BRANCH 19 20 ATOM 20 O LIG 1 -1.576 2.584 -2.643 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 -0.605 2.644 -2.553 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 -3.483 1.344 -1.829 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -4.073 0.415 -0.848 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 -4.173 1.037 0.489 0.00 0.00 +0.120 C ATOM 25 C LIG 1 -4.947 0.208 1.494 0.00 0.00 -0.030 A ATOM 26 C LIG 1 -5.834 -0.797 1.074 0.00 0.00 -0.042 A ATOM 27 C LIG 1 -6.558 -1.531 2.024 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -6.422 -1.251 3.383 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.558 -0.242 3.803 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.955 -1.126 -0.391 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -4.826 0.486 2.864 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.414 -0.007 -1.290 0.00 0.00 +0.089 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 7