REMARK Name = BDB010270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.682 1.974 -1.694 0.00 0.00 +0.052 A ATOM 2 C LIG 1 1.257 0.779 -2.141 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.981 -0.429 -1.636 0.00 0.00 +0.265 A ATOM 4 O LIG 1 1.855 -1.474 -2.277 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 2.800 -0.242 -0.538 0.00 0.00 -0.232 N ATOM 6 C LIG 1 3.152 1.047 -0.192 0.00 0.00 +0.123 A ATOM 7 N LIG 1 2.682 2.106 -0.770 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 3.366 -1.395 0.073 0.00 0.00 +0.239 A ATOM 9 N LIG 1 4.546 -1.306 0.712 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 5.047 -2.427 1.280 0.00 0.00 +0.161 A ATOM 11 C LIG 1 4.431 -3.655 1.251 0.00 0.00 +0.156 A ATOM 12 C LIG 1 3.229 -3.654 0.590 0.00 0.00 +0.161 A ATOM 13 N LIG 1 2.688 -2.558 0.011 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 5.057 -4.691 1.864 0.00 0.00 -0.492 OA ATOM 15 C LIG 1 4.406 -5.956 1.791 0.00 0.00 +0.277 C ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 16 ATOM 16 C LIG 1 4.093 1.344 0.926 0.00 0.00 +0.056 C ATOM 17 C LIG 1 3.659 1.135 2.362 0.00 0.00 +0.012 C ATOM 18 C LIG 1 3.849 2.525 1.846 0.00 0.00 +0.012 C ENDBRANCH 6 16 BRANCH 1 19 ATOM 19 C LIG 1 1.095 3.309 -2.131 0.00 0.00 +0.056 C BRANCH 19 20 ATOM 20 C LIG 1 0.784 4.285 -0.984 0.00 0.00 +0.006 C BRANCH 20 22 ATOM 21 C LIG 1 -0.539 4.762 1.107 0.00 0.00 +0.004 C ATOM 22 C LIG 1 -0.275 3.764 -0.010 0.00 0.00 -0.003 C ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 1 19 BRANCH 2 23 ATOM 23 C LIG 1 0.184 0.516 -3.169 0.00 0.00 +0.079 C BRANCH 23 24 ATOM 24 C LIG 1 -1.104 0.011 -2.566 0.00 0.00 -0.025 A ATOM 25 C LIG 1 -2.066 0.886 -2.079 0.00 0.00 +0.115 A ATOM 26 N LIG 1 -3.220 0.499 -1.480 0.00 0.00 -0.255 NA ATOM 27 C LIG 1 -3.457 -0.836 -1.394 0.00 0.00 +0.072 A ATOM 28 C LIG 1 -2.555 -1.786 -1.859 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -1.365 -1.355 -2.442 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 C LIG 1 -4.731 -1.218 -0.776 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -4.992 -1.125 0.608 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -6.216 -1.584 1.127 0.00 0.00 +0.012 A ATOM 33 C LIG 1 -7.197 -2.107 0.285 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.962 -2.184 -1.083 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.743 -1.747 -1.606 0.00 0.00 +0.011 A BRANCH 31 36 ATOM 36 C LIG 1 -4.032 -0.591 1.594 0.00 0.00 +0.183 A ATOM 37 N LIG 1 -3.184 0.395 1.285 0.00 0.00 -0.271 N ATOM 38 H LIG 1 -3.072 0.859 0.394 0.00 0.00 +0.174 HD ATOM 39 C LIG 1 -2.452 0.644 2.378 0.00 0.00 +0.440 A ATOM 40 O LIG 1 -1.548 1.458 2.475 0.00 0.00 -0.221 OA ATOM 41 O LIG 1 -2.887 -0.184 3.384 0.00 0.00 -0.295 OA ATOM 42 N LIG 1 -3.936 -0.981 2.823 0.00 0.00 -0.054 NA ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 10