REMARK Name = BDB037593 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.134 -2.271 -0.022 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.968 -1.164 0.215 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.572 0.149 -0.001 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.629 0.986 0.449 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.618 0.218 0.927 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.757 0.505 -0.588 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.749 -0.575 -0.107 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.290 -1.056 0.596 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.210 -1.999 -0.375 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.983 -2.878 -0.780 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.683 2.468 0.412 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.843 3.130 0.810 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -2.941 4.566 0.731 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.226 4.997 1.377 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.908 3.759 1.893 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -2.906 5.446 1.943 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.125 2.561 1.288 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.715 3.117 0.010 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.908 1.953 0.189 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -5.541 1.472 -0.659 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.422 -1.977 0.563 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.686 -2.572 -0.825 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.794 -3.611 -0.765 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -4.531 -4.555 0.272 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.593 -3.957 1.564 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.461 -2.958 1.736 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.096 -0.469 -0.676 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.451 -1.320 -1.103 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.974 0.503 -0.262 0.00 0.00 +0.245 C ATOM 30 O LIG 1 3.667 1.378 0.539 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.358 0.431 -0.809 0.00 0.00 +0.040 A ATOM 32 C LIG 1 6.387 1.057 -0.087 0.00 0.00 +0.058 A ATOM 33 C LIG 1 7.700 1.021 -0.558 0.00 0.00 +0.121 A ATOM 34 C LIG 1 7.978 0.360 -1.757 0.00 0.00 +0.045 A ATOM 35 C LIG 1 6.959 -0.251 -2.489 0.00 0.00 +0.004 A ATOM 36 C LIG 1 5.647 -0.213 -2.019 0.00 0.00 +0.013 A BRANCH 33 37 ATOM 37 O LIG 1 8.788 1.583 0.050 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 8.549 2.314 1.247 0.00 0.00 +0.277 C ENDBRANCH 33 37 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 39 ATOM 39 C LIG 1 0.809 0.688 -2.101 0.00 0.00 -0.001 C ATOM 40 C LIG 1 -0.371 1.154 -2.922 0.00 0.00 +0.004 C ATOM 41 C LIG 1 0.140 -0.252 -3.077 0.00 0.00 +0.004 C ENDBRANCH 6 39 BRANCH 1 43 ATOM 42 C LIG 1 0.104 -4.271 1.411 0.00 0.00 +0.025 C ATOM 43 C LIG 1 -0.450 -3.686 0.117 0.00 0.00 +0.112 C ENDBRANCH 1 43 TORSDOF 8