REMARK Name = BDB061318 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.136 -2.912 1.287 0.00 0.00 +0.086 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.122 -2.135 1.139 0.00 0.00 +0.058 C ATOM 3 C LIG 1 1.915 -2.131 -0.107 0.00 0.00 +0.251 C ATOM 4 O LIG 1 1.575 -2.756 -1.098 0.00 0.00 -0.270 OA ATOM 5 N LIG 1 3.039 -1.330 0.110 0.00 0.00 -0.260 N ATOM 6 C LIG 1 3.039 -0.803 1.453 0.00 0.00 +0.188 C ATOM 7 C LIG 1 1.787 -1.382 2.018 0.00 0.00 +0.123 C BRANCH 5 8 ATOM 8 C LIG 1 4.074 -1.040 -0.822 0.00 0.00 +0.038 A ATOM 9 C LIG 1 5.153 -0.214 -0.460 0.00 0.00 +0.032 A ATOM 10 C LIG 1 6.192 0.097 -1.361 0.00 0.00 -0.016 A ATOM 11 C LIG 1 6.155 -0.432 -2.667 0.00 0.00 -0.018 A ATOM 12 C LIG 1 7.188 -0.126 -3.568 0.00 0.00 +0.008 A ATOM 13 C LIG 1 8.248 0.695 -3.183 0.00 0.00 +0.001 A ATOM 14 C LIG 1 8.287 1.220 -1.895 0.00 0.00 +0.001 A ATOM 15 C LIG 1 5.085 -1.256 -3.032 0.00 0.00 +0.010 A ATOM 16 C LIG 1 7.267 0.924 -0.990 0.00 0.00 +0.008 A ATOM 17 C LIG 1 4.062 -1.553 -2.123 0.00 0.00 +0.024 A ENDBRANCH 5 8 BRANCH 7 18 ATOM 18 O LIG 1 1.387 -1.207 3.320 0.00 0.00 -0.497 OA ATOM 19 C LIG 1 1.761 0.037 3.901 0.00 0.00 +0.276 C ENDBRANCH 7 18 ENDBRANCH 1 2 BRANCH 1 22 ATOM 20 C LIG 1 -3.398 -0.950 0.210 0.00 0.00 +0.025 A ATOM 21 S LIG 1 -2.347 -1.228 1.546 0.00 0.00 -0.093 S ATOM 22 C LIG 1 -1.340 -2.277 0.647 0.00 0.00 -0.005 A ATOM 23 C LIG 1 -1.783 -2.412 -0.652 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -2.959 -1.649 -0.902 0.00 0.00 +0.016 A BRANCH 20 27 ATOM 25 N LIG 1 -5.685 1.901 -0.442 0.00 0.00 -0.352 N ATOM 26 C LIG 1 -4.641 0.985 -0.485 0.00 0.00 +0.098 A ATOM 27 C LIG 1 -4.510 -0.071 0.337 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -5.584 -0.271 1.363 0.00 0.00 +0.204 A ATOM 29 O LIG 1 -5.607 -1.232 2.134 0.00 0.00 -0.286 OA ATOM 30 C LIG 1 -6.677 0.734 1.436 0.00 0.00 +0.122 A ATOM 31 C LIG 1 -6.654 1.736 0.542 0.00 0.00 +0.104 A BRANCH 25 33 ATOM 32 C LIG 1 -4.983 4.241 -0.755 0.00 0.00 +0.027 C ATOM 33 C LIG 1 -5.723 3.056 -1.357 0.00 0.00 +0.118 C ENDBRANCH 25 33 BRANCH 30 34 ATOM 34 C LIG 1 -7.771 0.679 2.426 0.00 0.00 +0.342 C ATOM 35 O LIG 1 -8.659 1.518 2.490 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -7.723 -0.376 3.267 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 -6.960 -0.986 3.109 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 30 34 ENDBRANCH 20 27 ENDBRANCH 1 22 TORSDOF 8