REMARK Name = BDB039430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.305 -0.961 -1.355 0.00 0.00 -0.021 A ATOM 2 C LIG 1 -2.596 -2.321 -1.129 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -3.767 -3.131 -1.172 0.00 0.00 +0.029 A ATOM 4 C LIG 1 -3.403 -4.420 -0.844 0.00 0.00 +0.088 A ATOM 5 N LIG 1 -2.054 -4.422 -0.603 0.00 0.00 -0.335 N ATOM 6 C LIG 1 -1.266 -5.572 -0.228 0.00 0.00 +0.150 C ATOM 7 C LIG 1 -1.545 -3.159 -0.768 0.00 0.00 +0.141 A ATOM 8 N LIG 1 -0.253 -2.822 -0.601 0.00 0.00 -0.229 NA ATOM 9 C LIG 1 0.014 -1.511 -0.809 0.00 0.00 +0.074 A ATOM 10 C LIG 1 -0.959 -0.581 -1.186 0.00 0.00 +0.034 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 1.430 -1.125 -0.610 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.783 0.113 -0.026 0.00 0.00 +0.016 A ATOM 13 C LIG 1 3.123 0.428 0.141 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.748 1.656 0.709 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.169 1.337 0.678 0.00 0.00 -0.282 N ATOM 16 C LIG 1 5.417 0.137 0.034 0.00 0.00 +0.248 C ATOM 17 O LIG 1 6.487 -0.345 -0.278 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.111 -0.464 -0.261 0.00 0.00 +0.042 A ATOM 19 C LIG 1 3.823 -1.684 -0.834 0.00 0.00 +0.014 A ATOM 20 C LIG 1 2.472 -2.009 -1.000 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.173 2.336 1.024 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.774 2.944 -0.243 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.093 3.570 -1.056 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.109 2.726 -0.470 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.482 3.126 -1.319 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.979 1.942 0.240 0.00 0.00 +0.219 C ATOM 27 O LIG 1 10.149 1.828 -0.119 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.438 1.218 1.447 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.220 1.897 2.046 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 9 11 BRANCH 1 30 ATOM 30 C LIG 1 -3.333 0.071 -1.760 0.00 0.00 +0.120 C BRANCH 30 33 ATOM 31 C LIG 1 -5.551 0.752 0.238 0.00 0.00 +0.030 C ATOM 32 C LIG 1 -4.049 0.761 0.486 0.00 0.00 +0.090 C ATOM 33 N LIG 1 -3.443 1.178 -0.791 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -4.361 2.217 -1.288 0.00 0.00 +0.085 C ATOM 35 C LIG 1 -5.763 1.842 -0.815 0.00 0.00 +0.022 C BRANCH 31 36 ATOM 36 C LIG 1 -6.361 0.957 1.512 0.00 0.00 +0.164 C BRANCH 36 38 ATOM 37 C LIG 1 -8.566 1.076 2.338 0.00 0.00 +0.193 C ATOM 38 O LIG 1 -7.750 0.898 1.188 0.00 0.00 -0.383 OA ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 30 33 ENDBRANCH 1 30 TORSDOF 6