REMARK Name = BDB039336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.280 -0.591 0.161 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -2.569 -1.713 -0.539 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -1.536 -2.628 -0.875 0.00 0.00 +0.066 A ATOM 4 N LIG 1 -0.244 -2.340 -0.463 0.00 0.00 -0.299 N ATOM 5 C LIG 1 0.537 -3.382 -0.908 0.00 0.00 +0.204 A ATOM 6 N LIG 1 -0.157 -4.282 -1.571 0.00 0.00 -0.243 NA ATOM 7 C LIG 1 0.091 -1.188 0.261 0.00 0.00 +0.055 A ATOM 8 C LIG 1 -1.450 -3.823 -1.552 0.00 0.00 +0.138 A ATOM 9 C LIG 1 -0.895 -0.321 0.575 0.00 0.00 +0.031 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 1.470 -0.891 0.678 0.00 0.00 -0.001 A ATOM 11 C LIG 1 2.367 -0.318 -0.240 0.00 0.00 +0.016 A ATOM 12 C LIG 1 3.657 -0.046 0.183 0.00 0.00 -0.017 A ATOM 13 C LIG 1 4.802 0.548 -0.570 0.00 0.00 +0.144 C ATOM 14 N LIG 1 5.851 0.599 0.442 0.00 0.00 -0.282 N ATOM 15 C LIG 1 5.450 0.045 1.647 0.00 0.00 +0.248 C ATOM 16 O LIG 1 6.119 -0.136 2.646 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 4.043 -0.335 1.491 0.00 0.00 +0.042 A ATOM 18 C LIG 1 3.186 -0.900 2.417 0.00 0.00 +0.014 A ATOM 19 C LIG 1 1.883 -1.177 1.999 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 7.246 0.921 0.156 0.00 0.00 +0.163 C ATOM 21 C LIG 1 7.454 2.076 -0.836 0.00 0.00 +0.240 C ATOM 22 O LIG 1 6.598 2.913 -1.116 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 8.708 2.163 -1.398 0.00 0.00 -0.255 N ATOM 24 H LIG 1 8.840 2.922 -2.053 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 9.673 1.188 -1.429 0.00 0.00 +0.219 C ATOM 26 O LIG 1 10.656 1.296 -2.156 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 9.474 0.012 -0.505 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.999 -0.316 -0.340 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 7 10 BRANCH 1 29 ATOM 29 C LIG 1 -3.298 0.459 0.573 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -4.614 0.265 -0.028 0.00 0.00 -0.303 NA ATOM 31 H LIG 1 -4.539 0.439 -1.031 0.00 0.00 +0.123 HD BRANCH 30 33 ATOM 32 C LIG 1 -5.370 2.594 0.395 0.00 0.00 +0.032 C ATOM 33 C LIG 1 -5.726 1.093 0.493 0.00 0.00 +0.039 C ATOM 34 C LIG 1 -6.012 0.772 1.978 0.00 0.00 +0.032 C BRANCH 33 35 ATOM 35 C LIG 1 -6.987 0.720 -0.322 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -7.764 1.661 -1.018 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -8.898 1.273 -1.741 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -9.278 -0.065 -1.787 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -8.525 -1.019 -1.112 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -7.394 -0.630 -0.390 0.00 0.00 +0.005 A ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 6